By Target / Pathway / Disease

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).

136,942 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

2,814

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. Apatinib (YN968D1) mesylate, Vascular endothelial growth factor receptor 2 inhibitor
    CAS: 1218779-75-9 EC Number: 881-162-7 Formula: C25H27N5O4S Molecular Weight: 493.58
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408044
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    Synonyms
    Rivoceranib mesylate | N-​[4-​(1-​cyanocyclopentyl)​phenyl]​-​2-​[(4-​pyridinylmethyl)​amino]​-3-​pyridinecarboxamide
  2. Apcin-A
    CAS: 1683617-62-0 Formula: C10H14Cl3N5O2 Molecular Weight: 342.61
    ● In Stock — US warehouse, ships to EU* Item #: A412850
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    IUPAC Name
    3-aminopropyl N-[2,2,2-trichloro-1-(pyrimidin-2-ylamino)ethyl]carbamate
    SMILES
    C1=CN=C(N=C1)NC(C(Cl)(Cl)Cl)NC(=O)OCCCN
    InChIKey
    JQTSJVDIFMKETH-UHFFFAOYSA-N
    InChI
    1S/C10H14Cl3N5O2/c11-10(12,13)7(17-8-15-4-2-5-16-8)18-9(19)20-6-1-3-14/h2,4-5,7H,1,3,6,14H2,(H,18,19)(H,15,16,17)
  3. Apilimod (STA-5326), 1-phosphatidylinositol 3-phosphate 5-kinase inhibitor
    CAS: 541550-19-0 EC Number: 810-045-5 Formula: C23H26N6O2 Molecular Weight: 418.49
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408817
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    Synonyms
    Benzaldehyde, 3-​methyl-​, 2-​[6-​(4-​morpholinyl)​-​2-​[2-​(2-​pyridinyl)​ethoxy]​-​4-​pyrimidinyl]​hydrazone
  4. Apilimod dimesylate
    CAS: 870087-36-8 EC Number: 810-042-9 Formula: C25H34N6O8S2 Molecular Weight: 610.7
    Liquid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A426548
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    IUPAC Name
    methanesulfonic acid;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
    SMILES
    CC1=CC(=CC=C1)C=NNC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4.CS(=O)(=O)O.CS(=O)(=O)O
    InChIKey
    GAJWNIKZLYZYSY-OKUPSQOASA-N
    InChI
    1S/C23H26N6O2.2CH4O3S/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20;2*1-5(2,3)4/h2-7,9,15-17H,8,10-show more
    Synonyms
    Apilimod mesylate|870087-36-8|Apilimod dimesylate|STA 5326 mesylate|STA-5326 mesylate|Apilimod mesylate [USAN]|Apilim...
  5. Apioline
    CAS: 523-80-8 Formula: C12H14O4 Molecular Weight: 222.24
    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 #: A353534
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    IUPAC Name
    4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole
    SMILES
    COC1=C2C(=C(C(=C1)CC=C)OC)OCO2
    InChIKey
    QQRSPHJOOXUALR-UHFFFAOYSA-N
    InChI
    1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3
    Synonyms
    1, 4,7-dimethoxy-5-(2-propenyl)- | EINECS 208-349-2 | AKOS003398564 | Petersiliencampher | Camphre de Persil | 4,7-di...
  6. Apitolisib (GDC-0980), PI3-kinase class I inhibitor
    CAS: 1032754-93-0 Formula: C23H30N8O3S Molecular Weight: 498.61
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408320
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    Synonyms
    RG7422, GNE 390 | (S)-1-(4-((2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholinothieno[3,2-d]pyrimidin-6-yl)methyl)pipera...
  7. Apixaban (BMS 562247-01), Coagulation factor X inhibitor
    CAS: 503612-47-3 EC Number: 639-684-6 Formula: C25H25N5O4 Molecular Weight: 459.51
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A409187
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    1-(4-methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
  8. Apixaban-¹³C, d3
    CAS: 1261393-15-0 Formula: C2413CH22D3N5O4 Molecular Weight: 463.51
    ◐ .Made to order · 8–12 wks Item #: A338454
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    IUPAC Name
    7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-1-[4-(trideuterio(113C)methoxy)phenyl]-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide
    SMILES
    COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N
    InChIKey
    QNZCBYKSOIHPEH-KQORAOOSSA-N
    InChI
    1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,show more
    Synonyms
    4,5,6,7-Tetrahydro-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxo-1-piperidinyl)phenyl]-1H-pyrazolo[3,4-c]pyridine-3-carboxami...
  9. Antineoplaston A10
    CAS: 91531-30-5 Formula: C13H14N2O3 Molecular Weight: 246.26
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A426908
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    IUPAC Name
    N-[(3S)-2,6-dioxopiperidin-3-yl]-2-phenylacetamide
    SMILES
    C1CC(=O)NC(=O)C1NC(=O)CC2=CC=CC=C2
    InChIKey
    OQGRFQCUGLKSAV-JTQLQIEISA-N
    InChI
    1S/C13H14N2O3/c16-11-7-6-10(13(18)15-11)14-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,17)(H,15,16,18)/t10-/m0/s1
    Synonyms
    BENZENEACETAMIDE, N-((3S)-2,6-DIOXO-3-PIPERIDINYL)- | A10 | A-10 | D80851 | AntineoplastonA10 | Antineoplaston-A10 | ...
  10. Antipyrine, Cyclooxygenase-1 inhibitor
    CAS: 60-80-0 EC Number: 200-486-6 Formula: C11H12N2O Molecular Weight: 188.23
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: A408977
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    Synonyms
    Phenazone | 1,5-dimethyl-2-phenyl-1,2-dihydropyrazol-3-one
  11. Apoptolidin
    CAS: 194874-06-1 PubChem CID: 11297771 Formula: C58H96O21 Molecular Weight: 1129.37
    ◐ .Made to order · 8–12 wks Item #: A329643
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    IUPAC Name
    (3E,5E,7E,9R,10R,11E,13E,17S,18S,20S)-20-[(R)-[(2R,3R,4S,5R,6R)-2,4-dihydroxy-6-[(2R)-2-[(2R,4S,5S,6S)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-show more
    SMILES
    CC1C=C(C=C(C=C(C(=O)OC(CC(C(CCC=C(C=CC1OC2C(C(C(C(O2)C)OC)O)O)C)O)OC)C(C3(C(C(C(C(O3)CC(COC)OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)O)OC)(C)O)C)O)C)O)O)C)C)C
    InChIKey
    WILMROCKORZEMQ-AIUMZUNXSA-N
    InChI
    1S/C58H96O21/c1-29-17-16-18-40(59)43(69-13)25-45(76-55(65)33(5)23-31(3)21-30(2)22-32(4)41(20-19-29)77-56-51(63)50(62)52(71-15)37(9)74-56)53(64)58(67)3show more
    Synonyms
    UNII-SAO6WVQ23I | HY-126679 | Apoptolidin | FU-40A | (3~{E},5~{E},7~{E},9~{R},10~{R},11~{E},13~{E},17~{S},18~{S},20~{...
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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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