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. Bidisomide
    CAS: 116078-65-0 PubChem CID: 59798 Formula: C22H34ClN3O2 Molecular Weight: 407.98
    ◐ Made to order · 8–12 wks Item #: B649110
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    Technical Identifiers
    IUPAC Name
    2-[2-[acetyl(propan-2-yl)amino]ethyl]-2-(2-chlorophenyl)-4-piperidin-1-ylbutanamide
    SMILES
    CC(C)N(CCC(CCN1CCCCC1)(C2=CC=CC=C2Cl)C(=O)N)C(=O)C
    InChIKey
    GTEPPJFJSNSNIH-UHFFFAOYSA-N
    InChI
    1S/C22H34ClN3O2/c1-17(2)26(18(3)27)16-12-22(21(24)28,19-9-5-6-10-20(19)23)11-15-25-13-7-4-8-14-25/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3,(H2,24,28)
    Synonyms
    Bidisomide (USAN/INN)|1-PIPERIDINEBUTANAMIDE,A-[2-[ACETYL(1-METHYLETHYL)AMINO]ETHYL]-A-(2-CHLOROPHENYL)-|alpha-[2-[ac...
  2. Mavorixafor trihydrochloride
    CAS: 2309699-17-8 PubChem CID: 78357868 Formula: C21H30Cl3N5 Molecular Weight: 458.86
    ◐ Made to order · 8–12 wks Item #: M649127
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    IUPAC Name
    N'-(1H-benzimidazol-2-ylmethyl)-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine;trihydrochloride
    SMILES
    C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3.Cl.Cl.Cl
    InChIKey
    FTHQTOSCZZCGHB-VLEZWVESSA-N
    InChI
    1S/C21H27N5.3ClH/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19;;;/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,show more
  3. ALB-127158(a)
    CAS: 1173154-32-9 PubChem CID: 44193892 Formula: C23H21FN4O2 Molecular Weight: 404.44
    ◐ Made to order · 8–12 wks Item #: A648959
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    IUPAC Name
    4-[(5-fluoropyridin-2-yl)methoxy]-1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)pyridin-2-one
    SMILES
    CN1C2=C(CNCC2)C3=C1C=C(C=C3)N4C=CC(=CC4=O)OCC5=NC=C(C=C5)F
    InChIKey
    VUUUHLIHQHVLLE-UHFFFAOYSA-N
    InChI
    1S/C23H21FN4O2/c1-27-21-6-8-25-13-20(21)19-5-4-17(10-22(19)27)28-9-7-18(11-23(28)29)30-14-16-3-2-15(24)12-26-16/h2-5,7,9-12,25H,6,8,13-14H2,1H3
  4. Macropa-NH2 diester
    CAS: 2146091-22-5 PubChem CID: 135349080 Formula: C29H43N5O8 Molecular Weight: 589.68
    ◐ Made to order · 8–12 wks Item #: M649109
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    IUPAC Name
    ethyl 4-amino-6-[[16-[(6-methoxycarbonylpyridin-2-yl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate
    SMILES
    CCOC(=O)C1=CC(=CC(=N1)CN2CCOCCOCCN(CCOCCOCC2)CC3=NC(=CC=C3)C(=O)OC)N
    InChIKey
    NXIKTSBSIRKUDI-UHFFFAOYSA-N
    InChI
    1S/C29H43N5O8/c1-3-42-29(36)27-20-23(30)19-25(32-27)22-34-9-13-40-17-15-38-11-7-33(8-12-39-16-18-41-14-10-34)21-24-5-4-6-26(31-24)28(35)37-2/h4-6,19-2show more
  5. N-Nornuciferine
    CAS: 4846-19-9 PubChem CID: 12313579 Formula: C18H19NO2 Molecular Weight: 281.3
    ◐ Made to order · 8–12 wks Item #: N649111
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    IUPAC Name
    (6aR)-1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
    SMILES
    COC1=C(C2=C3C(CC4=CC=CC=C42)NCCC3=C1)OC
    InChIKey
    QQKAHDMMPBQDAC-CQSZACIVSA-N
    InChI
    1S/C18H19NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-6,10,14,19H,7-9H2,1-2H3/t14-/m1/s1
    Synonyms
    4H-Dibenzo[de,g]quinoline, 5,6,6a,7-tetrahydro-1,2-dimethoxy-, (R)-|N-Nornuciferine|6a.beta.-Noraporphine, 1,2-dimeth...
  6. Tezacaftor-d4
    CAS: 1961280-24-9 Formula: C26H23D4F3N2O6 Molecular Weight: 524.52
    ◐ Made to order · 8–12 wks Item #: T648965
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    Technical Identifiers
    SMILES
    FC1=C(C=C2C(N(C(C(C)(C)CO)=C2)C[C@@H](O)CO)=C1)NC(C3(C4=CC=C(OC(F)(O5)F)C5=C4)C([2H])([2H])C3([2H])[2H])=O
  7. (2S)-2'-Methoxykurarinone
    CAS: 270249-38-2 PubChem CID: 11982641 Formula: C27H32O6 Molecular Weight: 452.54
    ◐ Made to order · 8–12 wks Item #: M648983
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    IUPAC Name
    (2S)-7-hydroxy-2-(4-hydroxy-2-methoxyphenyl)-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-2,3-dihydrochromen-4-one
    SMILES
    CC(=CCC(CC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=C(C=C(C=C3)O)OC)C(=C)C)C
    InChIKey
    KTAQQSUPNZAWEY-OSPHWJPCSA-N
    InChI
    1S/C27H32O6/c1-15(2)7-8-17(16(3)4)11-20-21(29)13-25(32-6)26-22(30)14-24(33-27(20)26)19-10-9-18(28)12-23(19)31-5/h7,9-10,12-13,17,24,28-29H,3,8,11,14H2show more
  8. MV1
    CAS: 1001600-54-9 PubChem CID: 23657865 Formula: C33H44N4O5 Molecular Weight: 576.73
    ◐ Made to order · 8–12 wks Item #: M649112
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    IUPAC Name
    methyl (2S)-2-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3,3-diphenylpropanoate
    SMILES
    CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC(C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)NC
    InChIKey
    UUPZYAHONNHULX-CJBSCAABSA-N
    InChI
    1S/C33H44N4O5/c1-22(34-2)30(38)35-28(25-18-11-6-12-19-25)32(40)37-21-13-20-26(37)31(39)36-29(33(41)42-3)27(23-14-7-4-8-15-23)24-16-9-5-10-17-24/h4-5,7show more
  9. (Rac)-BL-918
    CAS: 2435589-07-2 Formula: C23H15F8N3OS Molecular Weight: 533.44
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: B649113
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    IUPAC Name
    2-[[3,5-bis(trifluoromethyl)phenyl]carbamothioylamino]-N-(2,4-difluorophenyl)-2-phenylacetamide
    SMILES
    C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)F)F)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
    InChIKey
    BDBWQANRZRCMMD-UHFFFAOYSA-N
    InChI
    1S/C23H15F8N3OS/c24-15-6-7-18(17(25)11-15)33-20(35)19(12-4-2-1-3-5-12)34-21(36)32-16-9-13(22(26,27)28)8-14(10-16)23(29,30)31/h1-11,19H,(H,33,35)(H2,32show more
  10. Kuraridine
    CAS: 34981-25-4 PubChem CID: 44428631 Formula: C26H30O6 Molecular Weight: 438.51
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    ◐ Made to order · 8–12 wks Item #: K649108
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    Technical Identifiers
    IUPAC Name
    (E)-1-[2,4-dihydroxy-6-methoxy-3-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]phenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
    SMILES
    CC(=CCC(CC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=C(C=C(C=C2)O)O)O)C(=C)C)C
    InChIKey
    PIAPWPAWQGDOMN-SXAWMYDMSA-N
    InChI
    1S/C26H30O6/c1-15(2)6-7-18(16(3)4)12-20-23(30)14-24(32-5)25(26(20)31)21(28)11-9-17-8-10-19(27)13-22(17)29/h6,8-11,13-14,18,27,29-31H,3,7,12H2,1-2,4-5Hshow more
    Synonyms
    (2E)-1-[2,4-Dihydroxy-6-methoxy-3-[(2R)-5-methyl-2-(1-methylethenyl)-4-hexen-1-yl]phenyl]-3-(2,4-dihydroxyphenyl)-2-p...
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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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