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. Afoxolaner
    CAS: 1093861-60-9 EC Number: 832-051-7 PubChem CID: 25154249 Formula: C26H17ClF9N3O3 Molecular Weight: 625.87
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ◐ Made to order · 8–12 wks Item #: A649382
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    IUPAC Name
    4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamidshow more
    SMILES
    C1C(=NOC1(C2=CC(=CC(=C2)Cl)C(F)(F)F)C(F)(F)F)C3=CC=C(C4=CC=CC=C43)C(=O)NCC(=O)NCC(F)(F)F
    InChIKey
    OXDDDHGGRFRLEE-UHFFFAOYSA-N
    InChI
    1S/C26H17ClF9N3O3/c27-15-8-13(7-14(9-15)25(31,32)33)23(26(34,35)36)10-20(39-42-23)18-5-6-19(17-4-2-1-3-16(17)18)22(41)37-11-21(40)38-12-24(28,29)30/h1show more
    Synonyms
    NEXGARD|4-(5-(3-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-5-(TRIFLUOROMETHYL)-4,5-DIHYDROISOXAZOL-3-YL(-N-(2-OXO-2-((2,2,2-TR...
  2. (±)-LY367385
    CAS: 198419-90-8 Formula: C10H11NO4 Molecular Weight: 209.20
    ◐ Made to order · 8–12 wks Item #: L649472
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    IUPAC Name
    4-[amino(carboxy)methyl]-3-methylbenzoic acid
    SMILES
    CC1=C(C=CC(=C1)C(=O)O)C(C(=O)O)N
    InChIKey
    SGIKDIUCJAUSRD-UHFFFAOYSA-N
    InChI
    1S/C10H11NO4/c1-5-4-6(9(12)13)2-3-7(5)8(11)10(14)15/h2-4,8H,11H2,1H3,(H,12,13)(H,14,15)
  3. (-)-Epipodophyllotoxin
    CAS: 4375-07-9 PubChem CID: 105111 Formula: C22H22O8 Molecular Weight: 414.41
    ◐ Made to order · 8–12 wks Item #: E649389
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    SMILES
    COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC5=C(C=C24)OCO5)O
  4. NVX-207
    CAS: 745020-66-0 PubChem CID: 9960374 Formula: C36H59NO6 Molecular Weight: 601.86
    ◐ Made to order · 8–12 wks Item #: N649434
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    IUPAC Name
    [2-amino-3-hydroxy-2-(hydroxymethyl)propyl] (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4show more
    SMILES
    CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OCC(CO)(CO)N
    InChIKey
    KQZVSTAVTJCKDG-DRSBITMPSA-N
    InChI
    1S/C36H59NO6/c1-22(2)24-11-16-36(30(41)42-21-35(37,19-38)20-39)18-17-33(7)25(29(24)36)9-10-27-32(6)14-13-28(43-23(3)40)31(4,5)26(32)12-15-34(27,33)8/hshow more
  5. S116836
    CAS: 1257628-57-1 Formula: C27H21F3N6O Molecular Weight: 502.49
    ◐ Made to order · 8–12 wks Item #: S649426
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    SMILES
    O=C(C1=CC=C(C(C#CC2=CN=C(N=C2)NC3CC3)=C1)C)NC4=CC(C(F)(F)F)=CC(N5C=CN=C5)=C4
  6. FPTQ
    CAS: 864863-72-9 Formula: C17H12FN5 Molecular Weight: 305.31
    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%
    ◐ Made to order · 8–12 wks Item #: F649395
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  7. NVP-ACC789
    CAS: 300842-64-2 Formula: C21H17BrN4 Molecular Weight: 405.29
    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%
    ◐ Made to order · 8–12 wks Item #: N649460
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    IUPAC Name
    N-(3-bromo-4-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
    SMILES
    CC1=C(C=C(C=C1)NC2=NN=C(C3=CC=CC=C32)CC4=CC=NC=C4)Br
    InChIKey
    GXWKSXUPEFVUOO-UHFFFAOYSA-N
    InChI
    1S/C21H17BrN4/c1-14-6-7-16(13-19(14)22)24-21-18-5-3-2-4-17(18)20(25-26-21)12-15-8-10-23-11-9-15/h2-11,13H,12H2,1H3,(H,24,26)
    Synonyms
    ZK 202650|ZK202650|ZK-202650|NVP-ACC789|NVP-ACC-789|N-(3-bromo-4-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-ami...
  8. Batabulin sodium
    CAS: 195533-98-3 PubChem CID: 23669770 Formula: C13H6F6NNaO3S Molecular Weight: 393.24
    ◐ Made to order · 8–12 wks Item #: B649458
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    IUPAC Name
    sodium;(3-fluoro-4-methoxyphenyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide
    SMILES
    COC1=C(C=C(C=C1)[N-]S(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)F.[Na+]
    InChIKey
    UWPXRVDIKGZQQW-UHFFFAOYSA-N
    InChI
    1S/C13H6F6NO3S.Na/c1-23-7-3-2-5(4-6(7)14)20-24(21,22)13-11(18)9(16)8(15)10(17)12(13)19;/h2-4H,1H3;/q-1;+1
    Synonyms
    Benzenesulfonamide, 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)-, sodium salt|sodium (3-fluoro-4-methoxyphenyl...
  9. Trametiglue
    CAS: 2666940-97-0 Formula: C25H24FIN6O5S Molecular Weight: 666.46
    ◐ Made to order · 8–12 wks Item #: T649478
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    Technical Identifiers
    SMILES
    O=C1C2=C(N(C)C(C(C)=C2N(C3=CC(NS(=O)(NC)=O)=CC=C3)C(N1C4CC4)=O)=O)NC5=CC=C(C=C5F)I
  10. Purpurogallin
    CAS: 569-77-7 Formula: C11H8O5 Molecular Weight: 220.17
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥96%
    ● In Stock — US warehouse, ships to EU* Item #: P649449
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    Technical Identifiers
    SMILES
    O=C1C(O)=CC=CC2=CC(O)=C(O)C(O)=C21
    Synonyms
    2,3,4,6-Tetrahydroxy-5H-benzo[7]annulen-5-one
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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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