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. Bisantrene, DNA disrupting agent
    CAS: 78186-34-2 Formula: C22H22N8 Molecular Weight: 398.46
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: B649888
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    Technical Identifiers
    IUPAC Name
    N-[(E)-[10-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]anthracen-9-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
    SMILES
    C1CN=C(N1)NN=CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C=NNC5=NCCN5
    InChIKey
    NJSMWLQOCQIOPE-OCHFTUDZSA-N
    InChI
    1S/C22H22N8/c1-2-6-16-15(5-1)19(13-27-29-21-23-9-10-24-21)17-7-3-4-8-18(17)20(16)14-28-30-22-25-11-12-26-22/h1-8,13-14H,9-12H2,(H2,23,24,29)(H2,25,26,show more
    Synonyms
    Bisantrenum|2-Benzylsuccinic acid #|9,10-Anthracenedicarboxaldehyde, bis(4,5-dihydro-1H-imidazol-2-ylhydrazone),dihyd...
  2. MP07-66
    CAS: 1938056-90-6 PubChem CID: 154113489 Formula: C19H33NO3 Molecular Weight: 323.5
    ◐ Made to order · 8–12 wks Item #: M649846
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    Technical Identifiers
    IUPAC Name
    2,2-diethoxy-N-[(4-hexoxyphenyl)methyl]ethanamine
    SMILES
    CCCCCCOC1=CC=C(C=C1)CNCC(OCC)OCC
    InChIKey
    WBCMPXCRPPCZSO-UHFFFAOYSA-N
    InChI
    1S/C19H33NO3/c1-4-7-8-9-14-23-18-12-10-17(11-13-18)15-20-16-19(21-5-2)22-6-3/h10-13,19-20H,4-9,14-16H2,1-3H3
  3. Dimethyl lithospermate B
    CAS: 875313-64-7 PubChem CID: 72814155 Formula: C38H34O16 Molecular Weight: 746.7
    ◐ Made to order · 8–12 wks Item #: D649838
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    Technical Identifiers
    IUPAC Name
    [3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl] 2-(3,4-dihydroxyphenyl)-4-[3-[3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]oxy-3-oxoprop-1-show more
    SMILES
    COC(=O)C(CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)OC
    InChIKey
    DHYLGBJCEGEBGQ-UHFFFAOYSA-N
    InChI
    1S/C38H34O16/c1-50-36(47)29(15-18-3-8-22(39)26(43)13-18)52-31(46)12-7-20-5-11-25(42)35-32(20)33(34(54-35)21-6-10-24(41)28(45)17-21)38(49)53-30(37(48)5show more
  4. AGN194204, Retinoid X receptor agonist
    CAS: 220619-73-8 PubChem CID: 9863341 Formula: C24H32O2 Molecular Weight: 352.51
    ◐ Made to order · 8–12 wks Item #: A649835
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    Technical Identifiers
    IUPAC Name
    (2E,4E)-3-methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acid
    SMILES
    CC(=CC(=O)O)C=CC1CC1(C)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
    InChIKey
    BOOOLEGQBVUTKC-NVQSDHBMSA-N
    InChI
    1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18show more
  5. Isolinderalactone
    CAS: 957-66-4 PubChem CID: 5318587 Formula: C15H16O3 Molecular Weight: 244.28
    ◐ Made to order · 8–12 wks Item #: I649854
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    Technical Identifiers
    IUPAC Name
    (3aS,4R,8bR)-4-ethenyl-4,8-dimethyl-3-methylidene-5,8b-dihydro-3aH-furo[2,3-e][1]benzofuran-2-one
    SMILES
    CC1=COC2=C1C3C(C(=C)C(=O)O3)C(C2)(C)C=C
    InChIKey
    VXZIFOKTSURLNL-YDHLFZDLSA-N
    InChI
    1S/C15H16O3/c1-5-15(4)6-10-11(8(2)7-17-10)13-12(15)9(3)14(16)18-13/h5,7,12-13H,1,3,6H2,2,4H3/t12-,13-,15-/m0/s1
  6. KB02-SLF
    CAS: 2384184-40-9 PubChem CID: 137347727 Formula: C50H65ClN4O12 Molecular Weight: 949.52
    ◐ Made to order · 8–12 wks Item #: K649827
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    Technical Identifiers
    IUPAC Name
    [(1R)-1-[3-[3-[2-[2-[[2-[[1-(2-chloroacetyl)-3,4-dihydro-2H-quinolin-6-yl]oxy]acetyl]amino]ethoxy]ethoxy]propanoylamino]phenyl]-3-(3,4-dimethoxyphenylshow more
    SMILES
    CCC(C)(C)C(=O)C(=O)N1CCCCC1C(=O)OC(CCC2=CC(=C(C=C2)OC)OC)C3=CC(=CC=C3)NC(=O)CCOCCOCCNC(=O)COC4=CC5=C(C=C4)N(CCC5)C(=O)CCl
    InChIKey
    OKJBKEQXKMMRPL-WVILEFPPSA-N
    InChI
    1S/C50H65ClN4O12/c1-6-50(2,3)47(59)48(60)55-23-8-7-14-40(55)49(61)67-41(19-15-34-16-20-42(62-4)43(29-34)63-5)36-11-9-13-37(30-36)53-44(56)21-25-64-27-show more
  7. Ilorasertib hydrochloride
    CAS: 1847485-91-9 PubChem CID: 54759636 Formula: C25H22ClFN6O2S Molecular Weight: 525.00
    ◐ Made to order · 8–12 wks Item #: I649840
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    Technical Identifiers
    IUPAC Name
    1-[4-[4-amino-7-[1-(2-hydroxyethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-fluorophenyl)urea;hydrochloride
    SMILES
    C1=CC(=CC(=C1)F)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4C5=CN(N=C5)CCO)N.Cl
    InChIKey
    SUKMSIXFLFTNHO-UHFFFAOYSA-N
    InChI
    1S/C25H21FN6O2S.ClH/c26-17-2-1-3-19(10-17)31-25(34)30-18-6-4-15(5-7-18)21-14-35-23-20(12-28-24(27)22(21)23)16-11-29-32(13-16)8-9-33;/h1-7,10-14,33H,8-show more
  8. Tyk2-IN-5
    CAS: 1797432-62-2 PubChem CID: 91809175 Formula: C21H19FN8O2 Molecular Weight: 434.43
    ◐ Made to order · 8–12 wks Item #: T649821
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    Technical Identifiers
    IUPAC Name
    N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[(2-oxo-1-pyridin-2-ylpyridin-3-yl)amino]imidazo[1,2-b]pyridazine-3-carboxamide
    SMILES
    CNC1=CC(=NN2C1=NC=C2C(=O)NC3CC3F)NC4=CC=CN(C4=O)C5=CC=CC=N5
    InChIKey
    YITUGUNLCGLOII-GXTWGEPZSA-N
    InChI
    1S/C21H19FN8O2/c1-23-15-10-17(26-13-5-4-8-29(21(13)32)18-6-2-3-7-24-18)28-30-16(11-25-19(15)30)20(31)27-14-9-12(14)22/h2-8,10-12,14,23H,9H2,1H3,(H,26,show more
  9. FKBP12 PROTAC RC32
    CAS: 2375555-66-9 PubChem CID: 156599864 Formula: C75H107N7O20 Molecular Weight: 1426.69
    ◐ Made to order · 8–12 wks Item #: F649820
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    Technical Identifiers
    IUPAC Name
    (1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4show more
    SMILES
    CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCOCC5=CN(N=N5)CCOCCOCCNC6=CC=CC7=C6C(=O)N(C7=O)C8show more
    InChIKey
    XCSUEITWRRFFMN-LPIXFUNRSA-N
    InChI
    1S/C75H107N7O20/c1-45-17-12-11-13-18-46(2)61(94-8)41-54-24-22-51(7)75(93,102-54)69(87)73(91)81-29-15-14-21-58(81)74(92)101-62(42-59(83)47(3)38-50(6)67show more
  10. CP-601932
    CAS: 357425-68-4 PubChem CID: 69604735 Formula: C12H12F3N Molecular Weight: 227.23
    ◐ Made to order · 8–12 wks Item #: C649761
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    Technical Identifiers
    IUPAC Name
    (1R,8S)-4-(trifluoromethyl)-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
    SMILES
    C1C2CNCC1C3=C2C=CC(=C3)C(F)(F)F
    InChIKey
    RNOBTWYQAWEZHH-SFYZADRCSA-N
    InChI
    1S/C12H12F3N/c13-12(14,15)9-1-2-10-7-3-8(6-16-5-7)11(10)4-9/h1-2,4,7-8,16H,3,5-6H2/t7-,8+/m1/s1
  11. Chloroquinoxaline sulfonamide
    CAS: 97919-22-7 PubChem CID: 72462 Formula: C14H11ClN4O2S Molecular Weight: 334.78
    ◐ Made to order · 8–12 wks Item #: C649752
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    Technical Identifiers
    IUPAC Name
    4-amino-N-(5-chloroquinoxalin-2-yl)benzenesulfonamide
    SMILES
    C1=CC2=NC(=CN=C2C(=C1)Cl)NS(=O)(=O)C3=CC=C(C=C3)N
    InChIKey
    CTSNHMQGVWXIEG-UHFFFAOYSA-N
    InChI
    1S/C14H11ClN4O2S/c15-11-2-1-3-12-14(11)17-8-13(18-12)19-22(20,21)10-6-4-9(16)5-7-10/h1-8H,16H2,(H,18,19)
    Synonyms
    Benzenesulfonamide,4-amino-N-(5-chloro-2-quinoxalinyl)-|Chlorsulfaquinoxaline|1,2-Benzenedicarboxylic acid, di-2-prop...
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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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