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 for designing and evaluating ADC constructs.

PROTAC

2,814

PROTAC and targeted protein degradation tools for discovery research. Browse degrader-related ligands, linkers, and building blocks 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. 1H-1,2,4-Triazole-3,5-¹³C2-1,2,4-¹⁵N3
    CAS: 1261170-82-4 Formula: 13C2H315N3 Molecular Weight: 74.03
    ◐ .Made to order · 8–12 wks Item #: H330973
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    Technical Identifiers
    IUPAC Name
    (3,5-13C2,1,2,4-15N3)1H-1,2,4-triazole
    SMILES
    C1=NC=NN1
    InChIKey
    NSPMIYGKQJPBQR-CVMUNTFWSA-N
    InChI
    1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)/i1+1,2+1,3+1,4+1,5+1
  2. 3β-Hydroxy-Δ5-cholenic Acid
    CAS: 5255-17-4 EC Number: 973-563-1 Formula: C24H38O3 Molecular Weight: 374.57
    ● In Stock — US Item #: H163032
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    Technical Identifiers
    IUPAC Name
    (4R)-4-[(3S,8S,9S,10R,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
    SMILES
    CC(CCC(=O)O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
    InChIKey
    HIAJCGFYHIANNA-QIZZZRFXSA-N
    InChI
    1S/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5,15,17-21,25H,4,6-14H2,1-3H3,(H,26,27)/t15-,17+,18+show more
    Synonyms
    3beta-Hydroxy-5-cholenoate | Chol-5-en-24-oic acid, 3-hydroxy-, (3b)- | 3b-hydroxy-5-cholenoic acid | 3.beta.-Hydroxy...
  3. 3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone
    CAS: 77439-76-0 Formula: C5H3Cl3O3 Molecular Weight: 217.43
    ◐ .Made to order · 8–12 wks Item #: C331660
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    IUPAC Name
    4-chloro-3-(dichloromethyl)-2-hydroxy-2H-furan-5-one
    SMILES
    C1(C(=C(C(=O)O1)Cl)C(Cl)Cl)O
    InChIKey
    WNTRMRXAGJOLCU-UHFFFAOYSA-N
    InChI
    1S/C5H3Cl3O3/c6-2-1(3(7)8)4(9)11-5(2)10/h3-4,9H
    Synonyms
    CHEBI:82299 | BRN 3606116 | Chloro(dichloromethyl)-5-hydroxy-2(5H)-furanone | 3-Chloro-4-(dichloromethyl)-5-hydroxy-2...
  4. 5,6-Dihydrouridine
    CAS: 5627-05-4 Formula: C9H14N2O6 Molecular Weight: 246.22
    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%
    ● In Stock — US Item #: D304002
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    IUPAC Name
    1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione
    SMILES
    C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O
    InChIKey
    ZPTBLXKRQACLCR-XVFCMESISA-N
    InChI
    1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h4,6-8,12,14-15H,1-3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1
    Synonyms
    DTXSID6021329 | Hydrouracil, 1-.beta.-D-ribofuranosyl- | MFCD00047490 | 5,6-Dihydrouridine | Q413063 | PS-11123 | Uri...
  5. PDZ1 Domain inhibitor peptide TFA
    CAS: 1315378-73-4(free base) PubChem CID: 90488746 Formula: C38H61N9O11(free base) Molecular Weight: 819.95(free base)
    ● In Stock — US Item #: P288173
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    IUPAC Name
    (2S)-2-[[(2S)-2-[[(2S,5S,14S)-14-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-2-[(1R)-1-hydroxyethyl]-3,8,15-trishow more
    SMILES
    CC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C1CCC(=O)NCCCCC(C(=O)NC(C(=O)N1)C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)N
    InChIKey
    XXRRADBJCXMGOW-RMLJCASOSA-N
    InChI
    1S/C38H61N9O11/c1-20(2)30(38(57)58)46-32(51)21(3)42-34(53)28-15-16-29(50)41-18-8-6-10-27(36(55)47-31(22(4)48)37(56)45-28)44-35(54)26(9-5-7-17-39)43-33show more
  6. (+)-5-trans-Cloprostenol
    CAS: 57968-81-7 Formula: C22H29ClO6 Molecular Weight: 424.9
    ◐ .Made to order · 8–12 wks Item #: C276040
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    IUPAC Name
    7-[2-[4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hept-5-enoic acid
    SMILES
    C1C(C(C(C1O)C=CC(COC2=CC(=CC=C2)Cl)O)CC=CCCCC(=O)O)O
    InChIKey
    VJGGHXVGBSZVMZ-UHFFFAOYSA-N
    InChI
    1S/C22H29ClO6/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,2show more
    Synonyms
    HMS3749A13 | (+)-5-trans Cloprostenol | 15S-Cloprostenol pound>>(+)-15-Epi-Cloprostenol | SCHEMBL14913507 | D-Clopros...
  7. 3′,5′-Bis-O-[(1,1-dimethylethyl)dimethylsilyl]-α-[[(1,1-dimethylethyl)dimethylsilyl]oxy]thymidine
    CAS: 1210427-80-7 PubChem CID: 131637376 Formula: C28H56N2O6Si3 Molecular Weight: 601.01
    ● In Stock — US Item #: B351811
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    IUPAC Name
    1-[4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrimidine-2,4-dione
    SMILES
    CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
    InChIKey
    VWNYSLBEKMNLIZ-UHFFFAOYSA-N
    InChI
    1S/C28H56N2O6Si3/c1-26(2,3)37(10,11)33-18-20-17-30(25(32)29-24(20)31)23-16-21(36-39(14,15)28(7,8)9)22(35-23)19-34-38(12,13)27(4,5)6/h17,21-23H,16,18-1show more
  8. 4,7,10,13,16,19,22,25-Octaoxahexacosanoic acid
    CAS: 1093647-41-6 Formula: C18H36O10 Molecular Weight: 412.47
    ● In Stock — US Item #: O122049
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    IUPAC Name
    3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
    SMILES
    COCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
    InChIKey
    JHUSQXBQANBSDC-UHFFFAOYSA-N
    InChI
    1S/C18H36O10/c1-21-4-5-23-8-9-25-12-13-27-16-17-28-15-14-26-11-10-24-7-6-22-3-2-18(19)20/h2-17H2,1H3,(H,19,20)
    Synonyms
    mPEG7-OC2H4COOH
  9. 6'-(Indolin-1-yl)-1,3,3-trimethylspiro[indoline-2,3'-naphtho[2,1-b][1,4]oxazine]
    CAS: 114747-44-3 Formula: C30H27N3O Molecular Weight: 445.56
    ● In Stock — US Item #: I302242
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    Technical Identifiers
    IUPAC Name
    6-(2,3-dihydroindol-1-yl)-1',3',3'-trimethylspiro[benzo[f][1,4]benzoxazine-3,2'-indole]
    SMILES
    CC1(C2=CC=CC=C2N(C13C=NC4=C(O3)C=C(C5=CC=CC=C54)N6CCC7=CC=CC=C76)C)C
    InChIKey
    PITZBBWQUBGWTD-UHFFFAOYSA-N
    InChI
    1S/C30H27N3O/c1-29(2)23-13-7-9-15-25(23)32(3)30(29)19-31-28-22-12-6-5-11-21(22)26(18-27(28)34-30)33-17-16-20-10-4-8-14-24(20)33/h4-15,18-19H,16-17H2,1show more
    Synonyms
    Spiro[2H-indole-2,3'-[3H]naphth[2,1-b][1,4]oxazine], 6'-(2,3-dihydro-1H-indol-1-yl)-1,3-dihydro-1,3,3-trimethyl- | SB...
  10. Omeprazole Magnesium
    CAS: 95382-33-5 PubChem CID: 9799483 Formula: C34H36MgN6O6S2 Molecular Weight: 713.12
    ◐ .Made to order · 8–12 wks Item #: O356704
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    Technical Identifiers
    SMILES
    CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC.[Mg]
    InChIKey
    MQEUGMWHWPYFDD-UHFFFAOYSA-N
    InChI
    1S/C17H19N3O3S.Mg/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3,(H,19,20);
    Synonyms
    MQEUGMWHWPYFDD-UHFFFAOYSA-N | C34H36MgN6O6S2 | 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)-methyl]sulfinyl]-1H...
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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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