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. Tetracycline
    CAS: 60-54-8 PubChem CID: 54675776 Formula: C22H24N2O8 Molecular Weight: 444.44
    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
    ● In Stock — US warehouse, ships to EU* Item #: T580568
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    Technical Identifiers
    IUPAC Name
    (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
    SMILES
    CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O
    InChIKey
    NWXMGUDVXFXRIG-WESIUVDSSA-N
    InChI
    1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25-26,29,31-32H,7H2,1-3Hshow more
    Synonyms
    tetracycline|60-54-8|Deschlorobiomycin|Tetracyclinum|Achromycin|Tetracyclin|Sumycin|Abramycin|Tsiklomitsin|Cyclopar|A...
  2. TRIMIPRAMINE MALEATE SALT, Adrenergic receptor alpha-1 antagonist
    CAS: 521-78-8 PubChem CID: 5282318 Formula: C24H30N2O4 Molecular Weight: 410.51
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: T580588
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    IUPAC Name
    (Z)-but-2-enedioic acid;3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N,2-trimethylpropan-1-amine
    SMILES
    CC(CN1C2=CC=CC=C2CCC3=CC=CC=C31)CN(C)C.C(=CC(=O)O)C(=O)O
    InChIKey
    YDGHCKHAXOUQOS-BTJKTKAUSA-N
    InChI
    1S/C20H26N2.C4H4O4/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22;5-3(6)1-2-4(7)8/h4-11,16H,12-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-show more
    Synonyms
    10,11-dihydro-N,N,beta-trimethyl-5H-dibenz(b,f)azepine-5-propanamine (Z)-2-butenedioate (1:1) | 5H-DIBENZ(B,F)AZEPINE...
  3. ULK-101
    CAS: 2443816-45-1 PubChem CID: 137628686 Formula: C22H16F4N4OS Molecular Weight: 460.45
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: U492048
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    Technical Identifiers
    IUPAC Name
    N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
    SMILES
    C1CC1C(C(F)(F)F)NC(=O)C2=CC(=CS2)C3=C4N=CC(=CN4N=C3)C5=CC=C(C=C5)F
    InChIKey
    PFZRXJIYAFANHP-IBGZPJMESA-N
    InChI
    1S/C22H16F4N4OS/c23-16-5-3-12(4-6-16)15-8-27-20-17(9-28-30(20)10-15)14-7-18(32-11-14)21(31)29-19(13-1-2-13)22(24,25)26/h3-11,13,19H,1-2H2,(H,29,31)/t1show more
    Synonyms
    (S)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-(6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl)thiophene-2-carboxamide
  4. UNC-926
    CAS: 1184136-10-4 PubChem CID: 61041645 Formula: C16H21BrN2O Molecular Weight: 337.25
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: U580552
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    IUPAC Name
    (3-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
    SMILES
    C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Br
    InChIKey
    OWGLFIKZKQOYHZ-UHFFFAOYSA-N
    InChI
    1S/C16H21BrN2O/c17-14-5-3-4-13(12-14)16(20)19-10-6-15(7-11-19)18-8-1-2-9-18/h3-5,12,15H,1-2,6-11H2
    Synonyms
    (3-Bromophenyl)[4-(1-pyrrolidinyl)-1-piperidinyl]-methanone
  5. VU 0357017 Hydrochloride
    CAS: 1135242-13-5 PubChem CID: 25010775 Formula: C18H27N3O3 · HCl Molecular Weight: 369.89
    ● In Stock — US warehouse, ships to EU* Item #: V134258
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    Technical Identifiers
    IUPAC Name
    ethyl 4-[2-[(2-methylbenzoyl)amino]ethylamino]piperidine-1-carboxylate;hydrochloride
    SMILES
    CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=CC=C2C.Cl
    InChIKey
    XKJQVUIXSBOCPP-UHFFFAOYSA-N
    InChI
    1S/C18H27N3O3.ClH/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2;/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22);1H
    Synonyms
    EX-A1757 | N-ACETYL PROCAINAMIDE(<30%) | Ethyl 4-{[2-(2-methylbenzamido)ethyl]amino}piperidine-1-carboxylate--hydroge...
  6. Ulipristal, Progesterone receptor modulator
    CAS: 159811-51-5 PubChem CID: 13559281 Formula: C28H35NO3 Molecular Weight: 433.58
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: U580553
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    Technical Identifiers
    IUPAC Name
    (8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
    SMILES
    CC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O
    InChIKey
    HKDLNTKNLJPAIY-WKWWZUSTSA-N
    InChI
    1S/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2show more
    Synonyms
    ULIPRISTAL [WHO-DD] | 6J5J15Q2X8 | ULIPRISTAL [EMA EPAR] | SCHEMBL545159 | DTXSID501025842 | 19-Norpregna-4,9-diene-3...
  7. Vaccarin
    CAS: 53452-16-7 PubChem CID: 71307582 Formula: C32H38O19 Molecular Weight: 726.6
    ● In Stock — US warehouse, ships to EU* Item #: V418587
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    IUPAC Name
    6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,show more
    SMILES
    C1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)CO)O)O)O)O)O
    InChIKey
    GYIKGLVKALOGDP-HLEFUGOVSA-N
    InChI
    1S/C32H38O19/c33-7-17-23(40)26(43)30(51-31-27(44)21(38)14(37)9-46-31)29(49-17)20-13(36)6-16-19(24(20)41)12(35)5-15(48-16)10-1-3-11(4-2-10)47-32-28(45)show more
    Synonyms
    6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihy...
  8. Visomitin (SKQ1)
    CAS: 934826-68-3 PubChem CID: 16679091 Formula: C36H42BrO2P Molecular Weight: 617.6
    ● In Stock — US warehouse, ships to EU* Item #: V420065
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    IUPAC Name
    10-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl-triphenylphosphanium;bromide
    SMILES
    CC1=C(C(=O)C(=CC1=O)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]
    InChIKey
    WYHFWTRUGAFNKW-UHFFFAOYSA-M
    InChI
    1S/C36H42O2P.BrH/c1-29-30(2)36(38)31(28-35(29)37)20-12-7-5-3-4-6-8-19-27-39(32-21-13-9-14-22-32,33-23-15-10-16-24-33)34-25-17-11-18-26-34;/h9-11,13-18show more
    Synonyms
    SKQ1(Visomitin) | UNII-7B14500J3E | MFCD29477502 | 934826-68-3 (bromide) | 2,3-Dimethyl-5-(10-(triphenyl-L-5-phosphan...
  9. VU6015929
    CAS: 2442597-56-8 PubChem CID: 145925694 Formula: C24H19F4N5O2 Molecular Weight: 485.43
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: V492055
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    IUPAC Name
    4-fluoro-3-[[5-(1-methylpyrazol-3-yl)pyridin-3-yl]methylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide
    SMILES
    CN1C=CC(=N1)C2=CN=CC(=C2)CNC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)OC(F)(F)F)F
    InChIKey
    IZKVIUJIUTXIRH-UHFFFAOYSA-N
    InChI
    1S/C24H19F4N5O2/c1-33-8-7-21(32-33)17-9-15(12-29-14-17)13-30-22-10-16(5-6-20(22)25)23(34)31-18-3-2-4-19(11-18)35-24(26,27)28/h2-12,14,30H,13H2,1H3,(H,show more
    Synonyms
    4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3- (trifluoromethoxy)phenyl)benzamide
  10. Visomitin (SKQ1)
    CAS: 934826-68-3 PubChem CID: 16679091 Formula: C36H42BrO2P Molecular Weight: 617.6
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: V580556
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    Technical Identifiers
    IUPAC Name
    10-(4,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl-triphenylphosphanium;bromide
    SMILES
    CC1=C(C(=O)C(=CC1=O)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]
    InChIKey
    WYHFWTRUGAFNKW-UHFFFAOYSA-M
    InChI
    1S/C36H42O2P.BrH/c1-29-30(2)36(38)31(28-35(29)37)20-12-7-5-3-4-6-8-19-27-39(32-21-13-9-14-22-32,33-23-15-10-16-24-33)34-25-17-11-18-26-34;/h9-11,13-18show more
    Synonyms
    SKQ1(Visomitin) | UNII-7B14500J3E | MFCD29477502 | 934826-68-3 (bromide) | 2,3-Dimethyl-5-(10-(triphenyl-L-5-phosphan...
  11. Vilazodone HCl, Serotonin 1a (5-HT1a) receptor partial agonist
    CAS: 163521-08-2 EC Number: 695-883-8 PubChem CID: 6918313 Formula: C26H27N5O2·HCl Molecular Weight: 477.99
    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
    ● In Stock — US warehouse, ships to EU* Item #: V580555
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    IUPAC Name
    5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide;hydrochloride
    SMILES
    C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl
    InChIKey
    RPZBRGFNBNQSOP-UHFFFAOYSA-N
    InChI
    1S/C26H27N5O2.ClH/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32;/h4-7,13-15,17,29H,1-3,8-1show more
    Synonyms
    5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxamide hydrochloride | Vilazodone (Hydrochlorid...
  12. VU 0357017 Hydrochloride
    CAS: 1135242-13-5 PubChem CID: 25010775 Formula: C18H27N3O3 · HCl Molecular Weight: 369.89
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: V580554
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    Technical Identifiers
    IUPAC Name
    ethyl 4-[2-[(2-methylbenzoyl)amino]ethylamino]piperidine-1-carboxylate;hydrochloride
    SMILES
    CCOC(=O)N1CCC(CC1)NCCNC(=O)C2=CC=CC=C2C.Cl
    InChIKey
    XKJQVUIXSBOCPP-UHFFFAOYSA-N
    InChI
    1S/C18H27N3O3.ClH/c1-3-24-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)16-7-5-4-6-14(16)2;/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22);1H
    Synonyms
    EX-A1757 | N-ACETYL PROCAINAMIDE(<30%) | Ethyl 4-{[2-(2-methylbenzamido)ethyl]amino}piperidine-1-carboxylate--hydroge...
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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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