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. CCR2 antagonist 1
    CAS: 1683534-96-4 PubChem CID: 73334813 Formula: C28H32BrF3N2O Molecular Weight: 549.47
    ◐ Made to order · 8–12 wks Item #: C650686
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    IUPAC Name
    [(1S,3R)-3-[[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]amino]-1-propan-2-ylcyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
    SMILES
    CC(C)C1(CCC(C1)NC2CCC3=C2C=CC(=C3)Br)C(=O)N4CCC5=C(C4)C=C(C=C5)C(F)(F)F
    InChIKey
    QYDUEIJZRKTNKN-HYZYYIOASA-N
    InChI
    1S/C28H32BrF3N2O/c1-17(2)27(11-9-23(15-27)33-25-8-4-19-14-22(29)6-7-24(19)25)26(35)34-12-10-18-3-5-21(28(30,31)32)13-20(18)16-34/h3,5-7,13-14,17,23,25show more
  2. PR-104A
    CAS: 680199-06-8 PubChem CID: 9848786 Formula: C14H19BrN4O9S Molecular Weight: 499.29
    ◐ Made to order · 8–12 wks Item #: P650695
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    Technical Identifiers
    SMILES
    CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCO
  3. TrkA-IN-1
    CAS: 1680179-43-4 PubChem CID: 117967296 Formula: C25H20N4O Molecular Weight: 392.45
    ◐ Made to order · 8–12 wks Item #: T650694
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    IUPAC Name
    1-(9H-fluoren-9-yl)-3-(2-methyl-4-phenylpyrimidin-5-yl)urea
    SMILES
    CC1=NC=C(C(=N1)C2=CC=CC=C2)NC(=O)NC3C4=CC=CC=C4C5=CC=CC=C35
    InChIKey
    PKOROKYRNIDSPX-UHFFFAOYSA-N
    InChI
    1S/C25H20N4O/c1-16-26-15-22(23(27-16)17-9-3-2-4-10-17)28-25(30)29-24-20-13-7-5-11-18(20)19-12-6-8-14-21(19)24/h2-15,24H,1H3,(H2,28,29,30)
  4. ON 146040
    CAS: 1404231-34-0 PubChem CID: 73297262 Formula: C24H23N7O3S Molecular Weight: 489.55
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ◐ Made to order · 8–12 wks Item #: O650699
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    IUPAC Name
    (7Z)-2-[4-(4-methylpiperazin-1-yl)anilino]-7-[(4-nitrophenyl)methylidene]-5H-pyrimido[4,5-b][1,4]thiazin-6-one
    SMILES
    CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)SC(=CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)N4
    InChIKey
    PKCHFYZACODWAI-STZFKDTASA-N
    InChI
    1S/C24H23N7O3S/c1-29-10-12-30(13-11-29)18-8-4-17(5-9-18)26-24-25-15-20-23(28-24)35-21(22(32)27-20)14-16-2-6-19(7-3-16)31(33)34/h2-9,14-15H,10-13H2,1H3show more
    Synonyms
    2-((4-(4-Methylpiperazin-1-yl)phenyl)amino)-7-(4-nitrobenzylidene)-5H-pyrimido[4,5-b][1,4]thiazin-6(7H)-one
  5. PF-4840154
    CAS: 1332708-14-1 PubChem CID: 53380803 Formula: C26H38N6O2 Molecular Weight: 466.62
    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 #: P650704
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    IUPAC Name
    N-benzyl-4-(2-methylpropylamino)-2-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide
    SMILES
    CC(C)CNC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2)N3CCN(CC3)CC4CCCOC4
    InChIKey
    PPANZCQXFYBGHN-UHFFFAOYSA-N
    InChI
    1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-1show more
    Synonyms
    N-Benzyl-4-(isobutylamino)-2-[4-(tetrahydropyran-3-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide|PF 4840154|N-benz...
  6. Velzatinib(M4205)
    CAS: 2590556-80-0 PubChem CID: 155587867 Formula: C29H32N8O Molecular Weight: 508.62
    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 #: M650715
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    IUPAC Name
    N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(3-pyrrolidin-1-ylpropoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
    SMILES
    CN1C=C(C=N1)C2=CC=C(C=C2)CNC3=NC=NC(=C3)C4=CN=C5N4C=CC(=C5)OCCCN6CCCC6
    InChIKey
    LVMAULGVWBINFP-UHFFFAOYSA-N
    InChI
    1S/C29H32N8O/c1-35-20-24(18-34-35)23-7-5-22(6-8-23)17-30-28-16-26(32-21-33-28)27-19-31-29-15-25(9-13-37(27)29)38-14-4-12-36-10-2-3-11-36/h5-9,13,15-16show more
    Synonyms
    [4-(Methyl-1H-pyrazol-4-yl)-benzyl] -(6-[7-(3-pyrrolidin-1-yl-propoxy)-imidazo[1,2-a] pyridin-3-yl]-pyrimidin-4-yl]-a...
  7. SEL24-B489
    CAS: 1616359-00-2 EC Number: 879-181-0 PubChem CID: 76286825 Formula: C15H18Br2N4O2 Molecular Weight: 446.14
    ◐ Made to order · 8–12 wks Item #: S650719
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    IUPAC Name
    5,6-dibromo-4-nitro-2-piperidin-4-yl-1-propan-2-ylbenzimidazole
    SMILES
    CC(C)N1C2=CC(=C(C(=C2N=C1C3CCNCC3)[N+](=O)[O-])Br)Br
    InChIKey
    UOUBCIJIWDLRGM-UHFFFAOYSA-N
    InChI
    1S/C15H18Br2N4O2/c1-8(2)20-11-7-10(16)12(17)14(21(22)23)13(11)19-15(20)9-3-5-18-6-4-9/h7-9,18H,3-6H2,1-2H3
    Synonyms
    Pim/flt3 kinase inhibitor SEL24|SEL-24 free base|5,6-Dibromo-1-(1-methylethyl)-4-nitro-2-(4-piperidinyl)-1H-benzimida...
  8. N6,2′-O-Dimethyladenosine
    CAS: 57817-83-1 PubChem CID: 6453528 Formula: C12H17N5O4 Molecular Weight: 295.29
    ◐ Made to order · 8–12 wks Item #: N650721
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    IUPAC Name
    (2R,3R,4R,5R)-2-(hydroxymethyl)-4-methoxy-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
    SMILES
    CNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)OC
    InChIKey
    GRYSXUXXBDSYRT-WOUKDFQISA-N
    InChI
    1S/C12H17N5O4/c1-13-10-7-11(15-4-14-10)17(5-16-7)12-9(20-2)8(19)6(3-18)21-12/h4-6,8-9,12,18-19H,3H2,1-2H3,(H,13,14,15)/t6-,8-,9-,12-/m1/s1
    Synonyms
    N6,2 inverted exclamation marka-O-Dimethyladenosine|Sulodexido|(2R,3R,4R,5R)-2-(hydroxymethyl)-4-methoxy-5-[6-(methyl...
  9. Ardisiacrispin B
    CAS: 112766-96-8 PubChem CID: 194981 Formula: C53H86O22 Molecular Weight: 1075.24
    ◐ Made to order · 8–12 wks Item #: A650720
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    Technical Identifiers
    IUPAC Name
    (2R,4S,5R,8R,10S,13R,14R,18R,20S)-10-[(2S,3R,4S,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloshow more
    SMILES
    CC1C(C(C(C(O1)OC2C(C(C(OC2OC3COC(C(C3O)OC4C(C(C(C(O4)CO)O)O)O)OC5CCC6(C(C5(C)C)CCC7(C6CCC89C7(CC(C1(C8CC(CC1)(C)C=O)CO9)O)C)C)C)CO)O)O)O)O)O
    InChIKey
    ZDIHSHLFPFGAGP-GRWMUYEGSA-N
    InChI
    1S/C53H86O22/c1-23-32(58)36(62)39(65)43(69-23)75-42-38(64)34(60)25(19-55)71-46(42)72-26-20-67-45(41(35(26)61)74-44-40(66)37(63)33(59)24(18-54)70-44)73show more
    Synonyms
    Ardisiacrispin B|3beta-O-(alpha-L-Rhamnopyranosyl-(1-2)-O-beta-D-glucopyranosyl-(1-4)-(O-beta-D-glucopyranosyl-(1-2))...
  10. Rubiadin-1-methyl ether
    CAS: 7460-43-7 EC Number: 683-131-1 PubChem CID: 96191 Formula: C16H12O4 Molecular Weight: 268.26
    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 #: R650736
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    IUPAC Name
    3-hydroxy-1-methoxy-2-methylanthracene-9,10-dione
    SMILES
    CC1=C(C=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)O
    InChIKey
    NTBUBTCXACOEEC-UHFFFAOYSA-N
    InChI
    1S/C16H12O4/c1-8-12(17)7-11-13(16(8)20-2)15(19)10-6-4-3-5-9(10)14(11)18/h3-7,17H,1-2H3
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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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