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. Ganoderic acid C6
    CAS: 105742-76-5 PubChem CID: 102004760 Formula: C30H42O8 Molecular Weight: 530.65
    ◐ Made to order · 8–12 wks Item #: G647430
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    Technical Identifiers
    IUPAC Name
    (2R,6R)-6-[(3S,10S,12S,13R,14R,17R)-3,12-dihydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahydrocyclopenta[a]phenanthren-17-yl]show more
    SMILES
    CC(CC(=O)CC(C)C(=O)O)C1CC(=O)C2(C1(C(C(=O)C3=C2C(=O)CC4C3(CCC(C4(C)C)O)C)O)C)C
    InChIKey
    BTYTWXWAFWKSTA-LBAZHYSYSA-N
    InChI
    1S/C30H42O8/c1-14(10-16(31)11-15(2)26(37)38)17-12-21(34)30(7)22-18(32)13-19-27(3,4)20(33)8-9-28(19,5)23(22)24(35)25(36)29(17,30)6/h14-15,17,19-20,25,3show more
    Synonyms
    (2R,6R)-6-[(3S,10S,12S,13R,14R,17R)-3,12-Dihydroxy-4,4,10,13,14-pentamethyl-7,11,15-trioxo-1,2,3,5,6,12,16,17-octahyd...
  2. GPR84 antagonist 8
    CAS: 1445846-30-9 PubChem CID: 71598639 Formula: C23H23N3O5 Molecular Weight: 421.4
    ◐ Made to order · 8–12 wks Item #: G647489
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    IUPAC Name
    2-(1,4-dioxan-2-ylmethoxy)-9-(pyridin-2-ylmethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
    SMILES
    C1CN2C(=CC(=NC2=O)OCC3COCCO3)C4=C1C=C(C=C4)OCC5=CC=CC=N5
    InChIKey
    KSGKMLVYIUJQMZ-UHFFFAOYSA-N
    InChI
    1S/C23H23N3O5/c27-23-25-22(31-15-19-14-28-9-10-29-19)12-21-20-5-4-18(11-16(20)6-8-26(21)23)30-13-17-3-1-2-7-24-17/h1-5,7,11-12,19H,6,8-10,13-15H2
  3. Glabrone
    CAS: 60008-02-8 PubChem CID: 5317652 Formula: C20H16O5 Molecular Weight: 336.34
    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 #: G647374
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    IUPAC Name
    7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one
    SMILES
    CC1(C=CC2=C(O1)C=CC(=C2O)C3=COC4=C(C3=O)C=CC(=C4)O)C
    InChIKey
    COLMVFWKLOZOOP-UHFFFAOYSA-N
    InChI
    1S/C20H16O5/c1-20(2)8-7-14-16(25-20)6-5-12(18(14)22)15-10-24-17-9-11(21)3-4-13(17)19(15)23/h3-10,21-22H,1-2H3
    Synonyms
    Glabrone|7-hydroxy-3-(5-hydroxy-2,2-dimethyl-chromen-6-yl)chromen-4-one|7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-6-...
  4. PF-04745637
    CAS: 1917294-46-2 PubChem CID: 121304823 Formula: C27H32ClF3N2O2 Molecular Weight: 509.00
    ◐ Made to order · 8–12 wks Item #: P647453
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    IUPAC Name
    1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopentane-1-carboxamide
    SMILES
    C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)NCC(CC3=CC=CC=C3)N4CCC(CC4)(C(F)(F)F)O
    InChIKey
    PAEBEJVPSADOMC-UHFFFAOYSA-N
    InChI
    1S/C27H32ClF3N2O2/c28-22-10-8-21(9-11-22)25(12-4-5-13-25)24(34)32-19-23(18-20-6-2-1-3-7-20)33-16-14-26(35,15-17-33)27(29,30)31/h1-3,6-11,23,35H,4-5,12show more
  5. Icotinib Hydrochloride
    CAS: 1204313-51-8 PubChem CID: 44609731 Formula: C22H22ClN3O4 Molecular Weight: 427.88
    ◐ Made to order · 8–12 wks Item #: I647508
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    IUPAC Name
    N-(3-ethynylphenyl)-2,5,8,11-tetraoxa-15,17-diazatricyclo[10.8.0.014,19]icosa-1(12),13,15,17,19-pentaen-18-amine;hydrochloride
    SMILES
    C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OCCOCCOCCO4.Cl
    InChIKey
    PNNGXMJMUUJHAV-UHFFFAOYSA-N
    InChI
    1S/C22H21N3O4.ClH/c1-2-16-4-3-5-17(12-16)25-22-18-13-20-21(14-19(18)23-15-24-22)29-11-9-27-7-6-26-8-10-28-20;/h1,3-5,12-15H,6-11H2,(H,23,24,25);1H
    Synonyms
    Icotinib Hydrochloride|ICOTINIB HYDROCHLORIDE [WHO-DD]|N-(3-Ethynylphenyl)-7,8,10,11,13,14-hexahydro-[1,4,7,10]tetrao...
  6. Methyllucidone
    CAS: 19956-54-8 PubChem CID: 21680425 Formula: C16H14O4 Molecular Weight: 270.28
    ◐ Made to order · 8–12 wks Item #: M647475
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    IUPAC Name
    (2Z)-4-methoxy-2-[(E)-1-methoxy-3-phenylprop-2-enylidene]cyclopent-4-ene-1,3-dione
    SMILES
    COC1=CC(=O)C(=C(C=CC2=CC=CC=C2)OC)C1=O
    InChIKey
    FITVJPYUOAZKPN-PBMBQWDMSA-N
    InChI
    1S/C16H14O4/c1-19-13(9-8-11-6-4-3-5-7-11)15-12(17)10-14(20-2)16(15)18/h3-10H,1-2H3/b9-8+,15-13-
  7. VU 6008667
    CAS: 2092923-21-0 PubChem CID: 134824563 Formula: C24H17ClF2N2O2 Molecular Weight: 438.85
    ◐ Made to order · 8–12 wks Item #: V647507
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    IUPAC Name
    (9bS)-9b-(4-chloro-3-methylphenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
    SMILES
    CC1=C(C=CC(=C1)C23C4=CC=CC=C4C(=O)N2CCN3C(=O)C5=CC(=C(C=C5)F)F)Cl
    InChIKey
    XMSLRELXMCKGCB-DEOSSOPVSA-N
    InChI
    1S/C24H17ClF2N2O2/c1-14-12-16(7-8-19(14)25)24-18-5-3-2-4-17(18)23(31)29(24)11-10-28(24)22(30)15-6-9-20(26)21(27)13-15/h2-9,12-13H,10-11H2,1H3/t24-/m0/show more
  8. Kinsenoside
    CAS: 151870-74-5 PubChem CID: 10422896 Formula: C10H16O8 Molecular Weight: 264.23
    ◐ Made to order · 8–12 wks Item #: K647375
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    IUPAC Name
    (4R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-one
    SMILES
    C1C(COC1=O)OC2C(C(C(C(O2)CO)O)O)O
    InChIKey
    MQEPWBMWFIVRPS-ZGSHZZHUSA-N
    InChI
    1S/C10H16O8/c11-2-5-7(13)8(14)9(15)10(18-5)17-4-1-6(12)16-3-4/h4-5,7-11,13-15H,1-3H2/t4-,5-,7-,8+,9-,10-/m1/s1
    Synonyms
    Kinsenoside;(+)-Kinsenoside|Kinsenoside|(4R)-4-{[(2R,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}OXO...
  9. Karacoline
    CAS: 39089-30-0 PubChem CID: 441742 Formula: C22H35NO4 Molecular Weight: 377.52
    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 #: K647332
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    Technical Identifiers
    IUPAC Name
    (1S,2R,3R,4S,5S,6S,8S,9S,13R,16S,17R)-11-ethyl-6-methoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
    SMILES
    CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)O)C
    InChIKey
    HKQZUYOVMYOFIT-VHNBHZRZSA-N
    InChI
    1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15show more
    Synonyms
    20-ethyl-16beta-methoxy-4-methylaconitane-1alpha,8,14alpha-triol|Aconitane-1,8,14-triol, 20-ethyl-16-methoxy-4-methyl...
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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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