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. dFKBP-1
    CAS: 1799711-22-0 PubChem CID: 121427836 Formula: C53H64N6O14 Molecular Weight: 1009.11
    ◐ Made to order · 8–12 wks Item #: D648907
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    Technical Identifiers
    IUPAC Name
    [(1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butylamino]-4-oxobutanoyl]amino]phenshow 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)CCC(=O)NCCCCNC(=O)COC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O
    InChIKey
    RIBCWKRMNKOGRN-GGJINPDOSA-N
    InChI
    1S/C53H64N6O14/c1-6-53(2,3)47(64)51(68)58-28-10-7-16-37(58)52(69)73-38(21-18-32-19-22-39(70-4)41(29-32)71-5)33-13-11-14-34(30-33)56-43(61)25-24-42(60)show more
    Synonyms
    dFKBP-1|2-Piperidinecarboxylic acid, 1-(3,3-dimethyl-1,2-dioxopentyl)-, (1R)-3-(3,4-dimethoxyphenyl)-1-[3-[[4-[[4-[[2...
  2. K6PC-5
    CAS: 756875-51-1 PubChem CID: 11660192 Formula: C19H37NO4 Molecular Weight: 343.5
    ◐ Made to order · 8–12 wks Item #: K648900
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    IUPAC Name
    N-(1,3-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide
    SMILES
    CCCCCCCC(=O)C(CCCCCC)C(=O)NC(CO)CO
    InChIKey
    CGYVFCHCRBGGJG-UHFFFAOYSA-N
    InChI
    1S/C19H37NO4/c1-3-5-7-9-11-13-18(23)17(12-10-8-6-4-2)19(24)20-16(14-21)15-22/h16-17,21-22H,3-15H2,1-2H3,(H,20,24)
    Synonyms
    N-(1,3-dihydroxypropan-2-yl)-2-hexyl-3-oxodecanamide|Dihydroxyisopropyl capryloylcaprylamide|K6PC 5|K6PC-5|2-Hexyl-N-...
  3. Gypenoside LI
    CAS: 94987-10-7 PubChem CID: 76317290 Formula: C42H72O14 Molecular Weight: 801.01
    ◐ Made to order · 8–12 wks Item #: G648816
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    Technical Identifiers
    IUPAC Name
    (2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[[(2R,3R,5R,8R,9R,10R,12R,13R,14R,17S)-2,12-dihydroxy-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-peshow more
    SMILES
    CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CC(C(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)O)C)O)C
    InChIKey
    LTJZMSTVPKBWKB-XUYZQZLKSA-N
    InChI
    1S/C42H72O14/c1-20(2)10-9-13-42(8,52)21-11-14-41(7)28(21)22(45)16-27-39(5)17-23(46)35(38(3,4)26(39)12-15-40(27,41)6)56-37-34(32(50)30(48)25(19-44)54-3show more
    Synonyms
    beta-D-Glucopyranoside, (2alpha,3beta,12beta,20R)-2,12,20-trihydroxydammar-24-en-3-yl 2-O-beta-D-glucopyranosyl-|Gype...
  4. 740 Y-P
    CAS: 1236188-16-1 PubChem CID: 90488730 Formula: C141H222N43O39PS3 Molecular Weight: 3270.7
    ◐ Made to order · 8–12 wks Item #: Y648850
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    IUPAC Name
    (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amishow more
    SMILES
    CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNCshow more
    InChIKey
    XCGMILZGRGEWHL-QYGSNONCSA-N
    InChI
    1S/C141H222N43O39PS3/c1-8-75(3)114(184-128(208)94(46-48-108(148)188)164-116(196)84(146)32-25-56-156-139(150)151)136(216)174-90(38-20-24-55-145)127(207show more
  5. PF-06454589
    CAS: 1527473-30-8 EC Number: 808-611-1 PubChem CID: 72706837 Formula: C14H16N6O Molecular Weight: 284.32
    ◐ Made to order · 8–12 wks Item #: P648862
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    IUPAC Name
    4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
    SMILES
    CN1C=C(C=N1)C2=CNC3=C2C(=NC=N3)N4CCOCC4
    InChIKey
    VNWKCLDQBNSJJO-UHFFFAOYSA-N
    InChI
    1S/C14H16N6O/c1-19-8-10(6-18-19)11-7-15-13-12(11)14(17-9-16-13)20-2-4-21-5-3-20/h6-9H,2-5H2,1H3,(H,15,16,17)
    Synonyms
    PF-06454589|4-(5-(1-methyl-1H-pyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine|5-(1-methyl-1H-pyrazol-4-yl)-4...
  6. Pentagamavunon-1
    CAS: 27060-70-4 PubChem CID: 10760152 Formula: C23H24O3 Molecular Weight: 348.43
    ◐ Made to order · 8–12 wks Item #: P648889
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    Technical Identifiers
    IUPAC Name
    (2E,5E)-2,5-bis[(4-hydroxy-3,5-dimethylphenyl)methylidene]cyclopentan-1-one
    SMILES
    CC1=CC(=CC(=C1O)C)C=C2CCC(=CC3=CC(=C(C(=C3)C)O)C)C2=O
    InChIKey
    OHSKJRMWVIVJCP-AYKLPDECSA-N
    InChI
    1S/C23H24O3/c1-13-7-17(8-14(2)21(13)24)11-19-5-6-20(23(19)26)12-18-9-15(3)22(25)16(4)10-18/h7-12,24-25H,5-6H2,1-4H3/b19-11+,20-12+
  7. Nemorubicin
    CAS: 108852-90-0 EC Number: 808-225-3 Formula: C32H37NO13 Molecular Weight: 643.64
    Solid ≥95%
    ● In Stock — US warehouse, ships to EU* Item #: N648904
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    IUPAC Name
    (7S,9S)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-7-[(2R,4S,5S,6S)-5-hydroxy-4-[(2S)-2-methoxymorpholin-4-yl]-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydroshow more
    SMILES
    CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOC(C6)OC)O
    InChIKey
    CTMCWCONSULRHO-UHQPFXKFSA-N
    InChI
    1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(show more
    Synonyms
    5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(2-met...
  8. Valopicitabine dihydrochloride
    CAS: 640725-71-9 PubChem CID: 11293303 Formula: C15H26Cl2N4O6 Molecular Weight: 429.30
    ◐ Made to order · 8–12 wks Item #: V648799
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    Technical Identifiers
    SMILES
    CC(C)[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@]1(C)O)N2C=CC(=NC2=O)N)CO)N.Cl.Cl
  9. Taltobulin
    CAS: 228266-40-8 PubChem CID: 6918637 Formula: C27H43N3O4 Molecular Weight: 473.65
    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 #: T648803
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    Technical Identifiers
    Synonyms
    HTI-286|SPA-110|(S,E)-2,5-Dimethyl-4-((S)-N,3,3-trimethyl-2-((S)-3-methyl-2-(methylamino)-3-phenylbutanamido)butanami...
  10. Tarlox-TKI
    CAS: 2135696-72-7 PubChem CID: 51037658 Formula: C19H18BrClN6O Molecular Weight: 461.74
    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 #: T648908
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    IUPAC Name
    (E)-N-[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]-4-(dimethylamino)but-2-enamide
    SMILES
    CN(C)CC=CC(=O)NC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)Br
    InChIKey
    QBACGOWRJDBXSG-ONEGZZNKSA-N
    InChI
    1S/C19H18BrClN6O/c1-27(2)7-3-4-18(28)26-17-9-13-16(10-22-17)23-11-24-19(13)25-12-5-6-15(21)14(20)8-12/h3-6,8-11H,7H2,1-2H3,(H,22,26,28)(H,23,24,25)/b4show more
    Synonyms
    Kinase inhibitor-1|(2E)-N-{4-[(3-bromo-4-chlorophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-4-(dimethylamino)but-2-enami...
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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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