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. Epitinib succinate
    CAS: 2252334-12-4 PubChem CID: 135379897 Formula: C28H32N6O6 Molecular Weight: 548.59
    ◐ Made to order · 8–12 wks Item #: E649053
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    IUPAC Name
    butanedioic acid;4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]piperazine-1-carboxamide
    SMILES
    CCN1CCN(CC1)C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC=CC(=C4)C#C)OC.C(CC(=O)O)C(=O)O
    InChIKey
    HISXHQFAOANCJX-UHFFFAOYSA-N
    InChI
    1S/C24H26N6O2.C4H6O4/c1-4-17-7-6-8-18(13-17)27-23-19-14-21(22(32-3)15-20(19)25-16-26-23)28-24(31)30-11-9-29(5-2)10-12-30;5-3(6)1-2-4(7)8/h1,6-8,13-16Hshow more
    Synonyms
    Epitinib (succinate)|Epitinib succinate|butanedioic acid;4-ethyl-N-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]pip...
  2. ACP-5862
    CAS: 2230757-47-6 PubChem CID: 135177281 Formula: C26H23N7O3 Molecular Weight: 481.5
    ◐ Made to order · 8–12 wks Item #: A649021
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    IUPAC Name
    4-[8-amino-3-[4-(but-2-ynoylamino)butanoyl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
    SMILES
    CC#CC(=O)NCCCC(=O)C1=NC(=C2N1C=CN=C2N)C3=CC=C(C=C3)C(=O)NC4=CC=CC=N4
    InChIKey
    XZAATUBTUPPERZ-UHFFFAOYSA-N
    InChI
    1S/C26H23N7O3/c1-2-6-21(35)29-14-5-7-19(34)25-32-22(23-24(27)30-15-16-33(23)25)17-9-11-18(12-10-17)26(36)31-20-8-3-4-13-28-20/h3-4,8-13,15-16H,5,7,14Hshow more
  3. 3'-Demethylnobiletin
    CAS: 112448-39-2 PubChem CID: 183466 Formula: C20H20O8 Molecular Weight: 388.37
    ◐ Made to order · 8–12 wks Item #: D649022
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    IUPAC Name
    2-(3-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
    SMILES
    COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)O
    InChIKey
    XFYYZBJXMSDKCV-UHFFFAOYSA-N
    InChI
    1S/C20H20O8/c1-23-13-7-6-10(8-11(13)21)14-9-12(22)15-16(24-2)18(25-3)20(27-5)19(26-4)17(15)28-14/h6-9,21H,1-5H3
    Synonyms
    3'-Hydroxy-4',5,6,7,8-pentamethoxyflavone|2-(3-hydroxy-4-methoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one|4H-1-Benzop...
  4. ILK-IN-3
    CAS: 6975-75-3 PubChem CID: 228619 Formula: C10H12N6O Molecular Weight: 232.24
    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 #: I649033
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    IUPAC Name
    4-[(4-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
    SMILES
    COC1=CC=C(C=C1)N=NC2=C(NN=C2N)N
    InChIKey
    QNRNTYHAOBVOKW-UHFFFAOYSA-N
    InChI
    1S/C10H12N6O/c1-17-7-4-2-6(3-5-7)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)
    Synonyms
    QLT-0267; QLT 0267; QLT0267; QLT-267; QLT 267; QLT267|NIOSH/UV9738000|(4E)-5-IMINO-4-[2-(4-METHOXYPHENYL)HYDRAZIN-1-Y...
  5. Angeloylgomisin H
    CAS: 66056-22-2 PubChem CID: 26204131 Formula: C28H36O8 Molecular Weight: 500.58
    ◐ Made to order · 8–12 wks Item #: A649011
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    IUPAC Name
    [(9S,10S)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaenyl] (Z)-2-methylbut-2-enoate
    SMILES
    CC=C(C)C(=O)OC1=C2C(=CC(=C1OC)OC)CC(C(CC3=CC(=C(C(=C32)OC)OC)OC)(C)O)C
    InChIKey
    ZSAUXCVJDYCLRS-XSIRQHFTSA-N
    InChI
    1S/C28H36O8/c1-10-15(2)27(29)36-26-21-17(12-19(31-5)24(26)34-8)11-16(3)28(4,30)14-18-13-20(32-6)23(33-7)25(35-9)22(18)21/h10,12-13,16,30H,11,14H2,1-9Hshow more
    Synonyms
    [(9S,10S)-10-hydroxy-4,5,14,15,16-pentamethoxy-9,10-dimethyl-3-tricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen...
  6. Oglufanide
    CAS: 38101-59-6 PubChem CID: 100094 Formula: C16H19N3O5 Molecular Weight: 333.34
    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 #: O648995
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    IUPAC Name
    (4S)-4-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
    SMILES
    C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)C(CCC(=O)O)N
    InChIKey
    LLEUXCDZPQOJMY-AAEUAGOBSA-N
    InChI
    1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/sshow more
    Synonyms
    (4S)-4-AMINO-5-{[(1S)-1-CARBOXY-2-(1H-INDOL-3-YL)ETHYL]AMINO}-5-OXOPENTANOIC ACID|(S)-4-amino-5-((S)-1-carboxy-2-(1H-...
  7. Moringin
    CAS: 73255-40-0 PubChem CID: 153557 Formula: C14H17NO5S Molecular Weight: 311.35
    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 #: M649023
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    IUPAC Name
    (2S,3R,4R,5R,6S)-2-[4-(isothiocyanatomethyl)phenoxy]-6-methyloxane-3,4,5-triol
    SMILES
    CC1C(C(C(C(O1)OC2=CC=C(C=C2)CN=C=S)O)O)O
    InChIKey
    QAZIHHJTZPNRCM-CNJBRALLSA-N
    InChI
    1S/C14H17NO5S/c1-8-11(16)12(17)13(18)14(19-8)20-10-4-2-9(3-5-10)6-15-7-21/h2-5,8,11-14,16-18H,6H2,1H3/t8-,11-,12+,13+,14-/m0/s1
  8. c-Fms-IN-2
    CAS: 791587-67-2 PubChem CID: 9884318 Formula: C19H21N3O3 Molecular Weight: 339.39
    ◐ Made to order · 8–12 wks Item #: C649003
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    IUPAC Name
    5-cyano-N-[5-(hydroxymethyl)-2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
    SMILES
    CC1CCN(CC1)C2=C(C=C(C=C2)CO)NC(=O)C3=CC=C(O3)C#N
    InChIKey
    NNPCFFIJVKYGHR-UHFFFAOYSA-N
    InChI
    1S/C19H21N3O3/c1-13-6-8-22(9-7-13)17-4-2-14(12-23)10-16(17)21-19(24)18-5-3-15(11-20)25-18/h2-5,10,13,23H,6-9,12H2,1H3,(H,21,24)
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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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