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. Decyl maltose neopentyl glycol
    CAS: 1257852-99-5 PubChem CID: 122398623 Formula: C43H80O22 Molecular Weight: 949.08
    ◐ Made to order · 8–12 wks Item #: D648390
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    IUPAC Name
    (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxashow more
    SMILES
    CCCCCCCCC(CCCCCCCC)(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O)COC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O
    InChIKey
    GDAZOFIUKHGYGD-VLJUBQHSSA-N
    InChI
    1S/C43H80O22/c1-3-5-7-9-11-13-15-43(16-14-12-10-8-6-4-2,21-58-39-35(56)31(52)37(25(19-46)62-39)64-41-33(54)29(50)27(48)23(17-44)60-41)22-59-40-36(57)3show more
    Synonyms
    Decyl maltose neopentyl glycol|(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[2-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxym...
  2. ALC-0159
    CAS: 1849616-42-7 PubChem CID: 155977658 Formula: (C2H4O)nC31H63NO2
    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 #: A648398
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    IUPAC Name
    azane;2-(2-methoxyethoxy)-N,N-di(tetradecyl)acetamide
    SMILES
    CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)COCCOC.N
    InChIKey
    XRINHCGBBXKJPI-UHFFFAOYSA-N
    InChI
    1S/C33H67NO3.H3N/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-34(33(35)32-37-31-30-36-3)29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h4-32H2,1-3H3;1H3
    Synonyms
    2-[(Polyethylene glycol)]-N,N-ditetradecylacetamide
  3. CCT251236
    CAS: 1693731-40-6 EC Number: 849-595-6 PubChem CID: 117996749 Formula: C32H32N4O5 Molecular Weight: 552.62
    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%
    ◐ Made to order · 8–12 wks Item #: C648416
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    IUPAC Name
    N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]-2-(2-pyrrolidin-1-ylethoxy)quinoline-6-carboxamide
    SMILES
    CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC5=C(C=C4)N=C(C=C5)OCCN6CCCC6
    InChIKey
    KLHOCHQJHXNKAS-UHFFFAOYSA-N
    InChI
    1S/C32H32N4O5/c1-21-4-8-25(33-31(37)24-6-10-28-29(19-24)40-17-16-39-28)20-27(21)35-32(38)23-5-9-26-22(18-23)7-11-30(34-26)41-15-14-36-12-2-3-13-36/h4-show more
    Synonyms
    CCT 251236|N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]-2-(2-pyrrolidin-1-ylethoxy)quinoline-6...
  4. SIAIS178
    CAS: 2376047-73-1 PubChem CID: 139474625 Formula: C50H62ClN11O6S2 Molecular Weight: 1012.68
    ◐ Made to order · 8–12 wks Item #: S648459
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    IUPAC Name
    N-(2-chloro-6-methylphenyl)-2-[[6-[4-[8-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimetshow more
    SMILES
    CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)C(=O)CCCCCCC(=O)NC(C(=O)N5CC(CC5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C
    InChIKey
    YGQREOJIRFCRKQ-ZIBKGDFVSA-N
    InChI
    1S/C50H62ClN11O6S2/c1-30-12-11-13-36(51)43(30)59-47(67)38-27-53-49(70-38)57-39-25-40(56-32(3)55-39)60-20-22-61(23-21-60)42(65)15-10-8-7-9-14-41(64)58-show more
  5. Tiotropium bromide hydrate, Muscarinic acetylcholine receptor M3 antagonist
    CAS: 411207-31-3 PubChem CID: 11431811 Formula: C19H24BrNO5S2 Molecular Weight: 490.43
    ◐ Made to order · 8–12 wks Item #: T648496
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    IUPAC Name
    [(1R,2R,4S,5S)-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate;bromide;hydrate
    SMILES
    C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.O.[Br-]
    InChIKey
    MQLXPRBEAHBZTK-KFEMZTBUSA-M
    InChI
    1S/C19H22NO4S2.BrH.H2O/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15;;/h3-8,11-13,16-17,22H,9-10H2,1-2H3;1H;1H2show more
    Synonyms
    Spiriva|3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-, bromide, hydrate,...
  6. Calcitriol Impurities A
    CAS: 73837-24-8 Formula: C27H44O3 Molecular Weight: 416.64
    ◐ Made to order · 8–12 wks Item #: C648504
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    IUPAC Name
    (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenshow more
    SMILES
    CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C
    InChIKey
    GMRQFYUYWCNGIN-DRQJEBLXSA-N
    InChI
    1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b2show more
    Synonyms
    (1R,3S,5E)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4...
  7. PACAP-38 (31-38), human, mouse, rat
    CAS: 138764-85-9 PubChem CID: 139270272 Formula: C47H83N17O11 Molecular Weight: 1062.27
    ◐ Made to order · 8–12 wks Item #: P648462
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    IUPAC Name
    N-[1-[[1-[[6-amino-1-[[4-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]aminoshow more
    SMILES
    CC(C)C(C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(C=C1)O)N
    InChIKey
    YJQRDMBVNVOBLN-UHFFFAOYSA-N
    InChI
    1S/C47H83N17O11/c1-26(2)38(46(75)62-32(12-5-8-22-50)42(71)63-35(25-37(53)67)45(74)58-30(39(54)68)10-3-6-20-48)64-44(73)33(13-9-23-57-47(55)56)60-43(72show more
  8. L319
    CAS: 1351586-50-9 Formula: C41H75NO6 Molecular Weight: 678.04
    Liquid 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 #: L648469
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    IUPAC Name
    bis[(Z)-non-2-enyl] 9-[4-(dimethylamino)butanoyloxy]heptadecanedioate
    SMILES
    CCCCCCC=CCOC(=O)CCCCCCCC(CCCCCCCC(=O)OCC=CCCCCCC)OC(=O)CCCN(C)C
    InChIKey
    DGNMJYUPWDTKJB-ZDSKVHJSSA-N
    InChI
    1S/C41H75NO6/c1-5-7-9-11-13-21-27-36-46-39(43)32-25-19-15-17-23-30-38(48-41(45)34-29-35-42(3)4)31-24-18-16-20-26-33-40(44)47-37-28-22-14-12-10-8-6-2/hshow more
    Synonyms
    Di((Z)-Non-2-en-1-yl) 9-((4-(dimethylamino)butanoyl)oxy)heptadecanedioate
  9. Flumatinib mesylate
    CAS: 895519-91-2 PubChem CID: 46910592 Formula: C30H33F3N8O4S Molecular Weight: 658.7
    ◐ Made to order · 8–12 wks Item #: F648447
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    IUPAC Name
    methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[6-methyl-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyridin-3-yl]-3-(trifluoromethyl)benzamide
    SMILES
    CC1=C(C=C(C=N1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O
    InChIKey
    ZSASDYCFROUKTJ-UHFFFAOYSA-N
    InChI
    1S/C29H29F3N8O.CH4O3S/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-4show more
    Synonyms
    N-(6-methyl-5-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)pyridin-3-yl)-4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromet...
  10. (S)-Reticuline
    CAS: 485-19-8 EC Number: 207-611-3 Formula: C19H23NO4 Molecular Weight: 329.39
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: R648486
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    IUPAC Name
    (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
    SMILES
    CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)O)OC
    InChIKey
    BHLYRWXGMIUIHG-HNNXBMFYSA-N
    InChI
    1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1
    Synonyms
    RETICULINE, (+)-|S-(+)-Reticuline|S-RETICULINE|(1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahyd...
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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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