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. Velutin
    CAS: 25739-41-7 PubChem CID: 5464381 Formula: C17H14O6 Molecular Weight: 314.29
    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 #: V650156
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    Technical Identifiers
    IUPAC Name
    5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychromen-4-one
    SMILES
    COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)O)OC)O
    InChIKey
    ROCUOVBWAWAQFD-UHFFFAOYSA-N
    InChI
    1S/C17H14O6/c1-21-10-6-12(19)17-13(20)8-14(23-16(17)7-10)9-3-4-11(18)15(5-9)22-2/h3-8,18-19H,1-2H3
    Synonyms
    5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-chromen-4-one|5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxychr...
  2. AGL-2263
    CAS: 638213-98-6 PubChem CID: 9818584 Formula: C17H10N2O5 Molecular Weight: 322.27
    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 #: A650157
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    IUPAC Name
    (E)-2-(3,4-dihydroxybenzoyl)-3-(2-oxo-3H-1,3-benzoxazol-5-yl)prop-2-enenitrile
    SMILES
    C1=CC2=C(C=C1C=C(C#N)C(=O)C3=CC(=C(C=C3)O)O)NC(=O)O2
    InChIKey
    IUGRBTCJEYEDIY-VZUCSPMQSA-N
    InChI
    1S/C17H10N2O5/c18-8-11(16(22)10-2-3-13(20)14(21)7-10)5-9-1-4-15-12(6-9)19-17(23)24-15/h1-7,20-21H,(H,19,23)/b11-5+
    Synonyms
    (E)-2-(3,4-Dihydroxybenzoyl)-3-(2-oxo-2,3-dihydrobenzo[d]oxazol-5-yl)acrylonitrile
  3. Methoctramine tetrahydrochloride
    CAS: 104807-46-7 Formula: C36H66Cl4N4O2 Molecular Weight: 728.75
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    ● In Stock — US warehouse, ships to EU* Item #: M650210
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    IUPAC Name
    N,N'-bis[6-[(2-methoxyphenyl)methylamino]hexyl]octane-1,8-diamine;tetrahydrochloride
    SMILES
    COC1=CC=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=CC=CC=C2OC.Cl.Cl.Cl.Cl
    InChIKey
    CDKGGOUDHGSFAF-UHFFFAOYSA-N
    InChI
    1S/C36H62N4O2.4ClH/c1-41-35-23-13-11-21-33(35)31-39-29-19-9-7-17-27-37-25-15-5-3-4-6-16-26-38-28-18-8-10-20-30-40-32-34-22-12-14-24-36(34)42-2;;;;/h11show more
    Synonyms
    N1,N1'-(octane-1,8-diyl)bis(N6-(2-methoxybenzyl)hexane-1,6-diamine) tetrahydrochloride|Methoctramine tetrahydrochlori...
  4. JNJ-47117096 hydrochloride
    CAS: 1610536-69-0 PubChem CID: 132472238 Formula: C21H23ClN4O2 Molecular Weight: 398.89
    ◐ Made to order · 8–12 wks Item #: J650437
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    IUPAC Name
    2-methoxy-4-(1H-pyrazol-4-yl)-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide;hydrochloride
    SMILES
    COC1=C(C=CC(=C1)C2=CNN=C2)C(=O)NC3=CC4=C(CCNCC4)C=C3.Cl
    InChIKey
    OXRWZUUCCUDKJJ-UHFFFAOYSA-N
    InChI
    1S/C21H22N4O2.ClH/c1-27-20-11-15(17-12-23-24-13-17)3-5-19(20)21(26)25-18-4-2-14-6-8-22-9-7-16(14)10-18;/h2-5,10-13,22H,6-9H2,1H3,(H,23,24)(H,25,26);1H
  5. Methyl kakuol
    CAS: 70342-29-9 PubChem CID: 13672435 Formula: C11H12O4 Molecular Weight: 208.21
    ◐ Made to order · 8–12 wks Item #: M650505
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    IUPAC Name
    1-(6-methoxy-1,3-benzodioxol-5-yl)propan-1-one
    SMILES
    CCC(=O)C1=CC2=C(C=C1OC)OCO2
    InChIKey
    XPHIRVUYIBXETG-UHFFFAOYSA-N
    InChI
    1S/C11H12O4/c1-3-8(12)7-4-10-11(15-6-14-10)5-9(7)13-2/h4-5H,3,6H2,1-2H3
    Synonyms
    1-(6-methoxy-1,3-benzodioxol-5-yl)propan-1-one|1-Propanone, 1-(6-methoxy-1,3-benzodioxol-5-yl)-|1-(6-Methoxy-2H-1,3-b...
  6. XY101
    CAS: 2349368-16-5 PubChem CID: 138105957 Formula: C25H20F7NO4S Molecular Weight: 563.48
    ◐ Made to order · 8–12 wks Item #: X650499
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    Technical Identifiers
    IUPAC Name
    2-(4-ethylsulfonylphenyl)-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]acetamide
    SMILES
    CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F
    InChIKey
    AUIAOCHKUNGZHV-UHFFFAOYSA-N
    InChI
    1S/C25H20F7NO4S/c1-2-38(36,37)19-10-3-15(4-11-19)13-22(34)33-18-8-5-16(6-9-18)20-12-7-17(14-21(20)26)23(35,24(27,28)29)25(30,31)32/h3-12,14,35H,2,13H2show more
  7. FN-1501
    CAS: 1429515-59-2 PubChem CID: 72195175 Formula: C22H25N9O Molecular Weight: 431.49
    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%
    ◐ Made to order · 8–12 wks Item #: F650483
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    Technical Identifiers
    IUPAC Name
    N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
    SMILES
    CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5
    InChIKey
    VXLAKHWYGRKCGI-UHFFFAOYSA-N
    InChI
    1S/C22H25N9O/c1-30-8-10-31(11-9-30)13-15-2-4-16(5-3-15)27-22(32)19-18(12-26-29-19)28-21-17-6-7-23-20(17)24-14-25-21/h2-7,12,14H,8-11,13H2,1H3,(H,26,29show more
    Synonyms
    FN-1501|4-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrazole-5-carboxa...
  8. XJB-5-131
    CAS: 866404-31-1 PubChem CID: 11693686 Formula: C53H81N7O9 Molecular Weight: 960.25
    ◐ Made to order · 8–12 wks Item #: X650484
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    Pricing & Pack Sizes
    Technical Identifiers
    SMILES
    CC(C)C[C@@H](/C=C/[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=O)OCC3=CC=CC=C3)C(=O)NC4CC(N(C(C4)(C)C)[O])(C)C)NC(=O)OC(Cshow more
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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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