Targets & Pathways

Explore small molecules, screening libraries, and tool compounds for discovery research. Browse by target, pathway, or ligand family to quickly find inhibitors, agonists, and chemical probes, with searchable structure/CAS data and supporting documents (SDS/COA where available).

136,943 products

Ready-to-screen compound libraries and focused sets for hit discovery. Browse libraries by target class, pathway, scaffold, or application, and review size, format, and compound information to build screening panels.Customize Your Screening Library to choose compounds, format, and volume, and we’ll prepare a ready-to-use set for you.Customize Your Screening Library

Navigate small molecules by ligand family or scaffold to build focused sets and explore structure–activity relationships. This category groups related chemotypes, helping you select analogs, fragments, and tool molecules for discovery research.

ADC-focused building blocks and tools to support antibody–drug conjugate research. Explore payloads, linkers, conjugation reagents, and related small-molecule components (where available) for designing and evaluating ADC constructs.

PROTAC

2,815

PROTAC and targeted protein degradation tools for discovery research. Browse degrader-related ligands, linkers, and building blocks (where available) to assemble or screen PROTAC designs, with clear identifiers for efficient selection.

Explore pathway-focused tool compounds to study and modulate key signaling cascades. Browse small molecules grouped by signaling pathway to support mechanism studies, phenotypic assays, and target validation, with clear identifiers for fast searching.

Find bioactive small molecules organized by protein target (DTO). Quickly locate tool compounds for specific targets and compare identifiers such as structure, CAS, and synonyms—plus supporting documents —to build screening and validation sets.

Shop small molecules and tool compounds organized by disease area (DOID). Discover chemical probes, libraries, and related products mapped to therapeutic areas to help assemble compound sets for screening, pathway exploration, and model studies.

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  1. Tacrine hydrochloride hydrate
    CAS: 206658-92-6 EC Number: 693-573-7 Formula:  C13H14N2.xHCl.xH2O Molecular Weight: 198.26(free)
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: T580576
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    Technical Identifiers
    IUPAC Name
    1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride
    SMILES
    C1CCC2=NC3=CC=CC=C3C(=C2C1)N.O.Cl
    InChIKey
    PXGRMZYJAOQPNZ-UHFFFAOYSA-N
    InChI
    1S/C13H14N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H;1H2
    Synonyms
    1,2,3,4-Tetrahydroacridin-9-amine hydrochloride hydrate | 1,2,3,4-Tetrahydroacridin-9-amine xhydrochloride xhydrate |...
  2. TG003, Inhibitor of CDC like kinase 1;Inhibitor of CDC like kinase 2
    CAS: 300801-52-9 EC Number: 636-912-6 PubChem CID: 1893668 Formula: C13H15NO2S Molecular Weight: 249.33
    Liquid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: T580533
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    IUPAC Name
    (1Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
    SMILES
    CCN1C2=C(C=CC(=C2)OC)SC1=CC(=O)C
    InChIKey
    BGVLELSCIHASRV-QPEQYQDCSA-N
    InChI
    1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-
    Synonyms
    TG003|TG-003|719277-26-6|300801-52-9|(Z)-1-(3-Ethyl-5-methoxy-2,3-dihydrobenzothiazol-2-ylidene)propan-2-one|KPC5K8BP...
  3. THZ1, Inhibitor of cyclin dependent kinase 7
    CAS: 1604810-83-4 PubChem CID: 73602827 Formula: C31H28ClN7O2 Molecular Weight: 566.05
    Liquid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: T580534
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    IUPAC Name
    N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide
    SMILES
    CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl
    InChIKey
    OBJNFLYHUXWUPF-IZZDOVSWSA-N
    InChI
    1S/C31H28ClN7O2/c1-39(2)16-6-11-28(40)35-21-14-12-20(13-15-21)30(41)36-22-7-5-8-23(17-22)37-31-34-19-26(32)29(38-31)25-18-33-27-10-4-3-9-24(25)27/h3-1show more
    Synonyms
    N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[[(E)-4-(dimethylamino)but-2-enoyl]amino]benzamide;(E...
  4. Tegoprazan, Potassium-transporting ATPase blocker
    CAS: 942195-55-3 PubChem CID: 23582846 Formula: C20H19F2N3O3 Molecular Weight: 387.38
    Liquid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: T580536
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    IUPAC Name
    7-[[(4S)-5,7-difluoro-3,4-dihydro-2H-chromen-4-yl]oxy]-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide
    SMILES
    CC1=NC2=C(N1)C=C(C=C2OC3CCOC4=C3C(=CC(=C4)F)F)C(=O)N(C)C
    InChIKey
    CLIQCDHNPDMGSL-HNNXBMFYSA-N
    InChI
    1S/C20H19F2N3O3/c1-10-23-14-6-11(20(26)25(2)3)7-17(19(14)24-10)28-15-4-5-27-16-9-12(21)8-13(22)18(15)16/h6-9,15H,4-5H2,1-3H3,(H,23,24)/t15-/m0/s1
    Synonyms
    HY-17623 | 7-[[(4S)-5,7-Difluoro-3,4-dihydro-2H-1-benzopyran-4-yl]oxy]-N,N,2-trimethyl-1H-benzimidazole-5-carboxamide...
  5. Terfenadine, Histamine H1 receptor antagonist
    CAS: 50679-08-8 EC Number: 256-710-8 PubChem CID: 5405 Formula: C32H41NO2 Molecular Weight: 471.67
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: T580537
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    IUPAC Name
    1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-ol
    SMILES
    CC(C)(C)C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
    InChIKey
    GUGOEEXESWIERI-UHFFFAOYSA-N
    InChI
    1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35show more
    Synonyms
    HMS3263D08 | HSDB 6508 | SCHEMBL5152 | SDCCGSBI-0051180.P004 | 1-(4-tert-Butylphenyl)-4-(4-(alpha-hydroxybenzhydryl)p...
  6. Tiagabine, Inhibitor of GAT1
    CAS: 115103-54-3 PubChem CID: 60648 Formula: C20H25NO2S2 Molecular Weight: 375.55
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: T580540
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    Technical Identifiers
    IUPAC Name
    (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]piperidine-3-carboxylic acid
    SMILES
    CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C
    InChIKey
    PBJUNZJWGZTSKL-MRXNPFEDSA-N
    InChI
    1S/C20H25NO2S2/c1-14-7-11-24-18(14)17(19-15(2)8-12-25-19)6-4-10-21-9-3-5-16(13-21)20(22)23/h6-8,11-12,16H,3-5,9-10,13H2,1-2H3,(H,22,23)/t16-/m1/s1
    Synonyms
    tiagabine|115103-54-3|Gabitril|(R)-Tiagabine|Tiagabinum|Tiagabina|Gabatril|Tiagabinum [INN-Latin]|Tiagabina [INN-Span...
  7. Tiamulin Fumarate
    CAS: 55297-96-6 EC Number: 259-581-6 PubChem CID: 23725049 Formula: C32H51NO8S Molecular Weight: 609.81
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: T580541
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    IUPAC Name
    (E)-but-2-enedioic acid;[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamshow more
    SMILES
    CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C.C(=CC(=O)O)C(=O)O
    InChIKey
    YXQXDXAHCSEVSD-GCYNEOGWSA-N
    InChI
    1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,19-20,2show more
    Synonyms
    TIAMULIN FUMARATE|Dynamutilin|Tiamulin hydrogen fumarate|Tiavet|55297-96-6|Thiamutilin fumarate|Sandoz 81723hfu|UNII-...
  8. Tobramycin sulfate
    CAS: 79645-27-5 PubChem CID: 54413 Formula: (C18H37N5O9)2•5H2SO4 Molecular Weight: 1425.41
    10mM in Water
    ◐ .Made to order · 8–12 wks Item #: T580543
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    IUPAC Name
    4-amino-2-[4,6-diamino-3-[3-amino-6-(aminomethyl)-5-hydroxyoxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol;sulfuric acid
    SMILES
    C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(CC(C(O3)CN)O)N)N.OS(=O)(=O)O
    InChIKey
    ZEUUPKVZFKBXPW-UHFFFAOYSA-N
    InChI
    1S/C18H37N5O9.H2O4S/c19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;1-5(2,3)4/h5-18,24-28H,1-4,19-23H2show more
    Synonyms
    1294492-03-7 | AKOS015895163 | BCP12890 | FT-0652844 | 4-AMINO-2-[4,6-DIAMINO-3-[3-AMINO-6-(AMINOMETHYL)-5-HYDROXYOXA...
  9. Tolazoline HCl, Adrenergic receptor alpha antagonist
    CAS: 59-97-2 EC Number: 200-447-3 PubChem CID: 6048 Formula: C10H12N2·HCl Molecular Weight: 196.68
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: T580544
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    Technical Identifiers
    IUPAC Name
    2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride
    SMILES
    C1CN=C(N1)CC2=CC=CC=C2.Cl
    InChIKey
    RHTNTTODYGNRSP-UHFFFAOYSA-N
    InChI
    1S/C10H12N2.ClH/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H
    Synonyms
    NSC757353 | NSC-757353 | s4124 | Cloridrato di 2-benzil-4,5-imidazolina [Italian] | E77029 | TOLAZOLINE HYDROCHLORIDE...
  10. Trifolirhizin
    CAS: 6807-83-6 EC Number: 804-190-3 PubChem CID: 442827 Formula: C22H22O10 Molecular Weight: 446.4
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: T580548
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    Technical Identifiers
    IUPAC Name
    (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxashow more
    SMILES
    C1C2C(C3=C(O1)C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6
    InChIKey
    VGSYCWGXBYZLLE-QEEQPWONSA-N
    InChI
    1S/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2/t12-,17+,18show more
    Synonyms
    DTXSID70987516 | NCGC00169980-03 | AKOS030632879 | (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxa...
  11. Trillin
    CAS: 14144-06-0 PubChem CID: 11827970 Formula: C33H52O8 Molecular Weight: 576.76
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: T580549
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    Technical Identifiers
    IUPAC Name
    (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-1show more
    SMILES
    CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)O)C)C)C)OC1
    InChIKey
    WXMARHKAXWRNDM-GAMIEDRGSA-N
    InChI
    1S/C33H52O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h5show more
    Synonyms
    Diosgeninglucoside | Diosgenin-glucoside | (25R)-3beta-(beta-D-Glucopyranosyloxy)spirost-5-ene | AKOS015960440 | MS-3...
  12. Typhaneoside
    CAS: 104472-68-6 PubChem CID: 44566503 Formula: C34H42O20 Molecular Weight: 770.685
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: T580551
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    Technical Identifiers
    IUPAC Name
    3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oshow more
    SMILES
    CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)OC)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O
    InChIKey
    POMAQDQEVHXLGT-QDYYQVSOSA-N
    InChI
    1S/C34H42O20/c1-10-20(38)24(42)27(45)32(49-10)48-9-18-22(40)26(44)31(54-33-28(46)25(43)21(39)11(2)50-33)34(52-18)53-30-23(41)19-15(37)7-13(35)8-17(19)show more
    Synonyms
    CHEBI:191968 | CCG-270457 | AKOS037514873 | Typhaneoside | EX-A8003M | 3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2R,3R,4R...
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Frequently Asked Questions

What does the By Target/Pathway/Disease listing cover?
It groups compounds associated with targets in By Target/Pathway/Disease, organised so you can move from the pathway to an individual target and then to a specific chemotype. Each entry carries structure, CAS number, and reported activity.
How is By Target/Pathway/Disease organised?
By Target/Pathway/Disease is broken down into Compound Libraries, PROTACs, molecular glues and other degraders and Antibody-drug Conjugates(ADC). Compounds acting on more than one node appear under each relevant target.
How do I choose compounds for By Target/Pathway/Disease research?
For By Target/Pathway/Disease, pick a well-characterised reference compound for the node you want to perturb, and pair it with a structurally unrelated compound hitting the same target — that is the cleanest way to separate pathway effects from off-target ones. Check potency, selectivity, and cell permeability against your assay format. All products are supplied for professional research and development use only, and are not for use in humans, animals, diagnostics, or therapy.
How do I find a specific compound within By Target/Pathway/Disease?
Search By Target/Pathway/Disease by compound name, CAS number, or SMILES, or drill down through the target listing. Unlisted compounds and bulk quantities: [email protected]. We supply verified businesses, research institutions, universities, and government agencies.

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