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. VU0134992 hydrochloride
    CAS: 1052515-91-9 PubChem CID: 2943675 Formula: C20H32BrClN2O2 Molecular Weight: 447.84
    ● In Stock — US warehouse, ships to EU* Item #: V412612
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    IUPAC Name
    2-(2-bromo-4-propan-2-ylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide;hydrochloride
    SMILES
    CC(C)C1=CC(=C(C=C1)OCC(=O)NC2CC(NC(C2)(C)C)(C)C)Br.Cl
    InChIKey
    QXKQUPCNSXWIDX-UHFFFAOYSA-N
    InChI
    1S/C20H31BrN2O2.ClH/c1-13(2)14-7-8-17(16(21)9-14)25-12-18(24)22-15-10-19(3,4)23-20(5,6)11-15;/h7-9,13,15,23H,10-12H2,1-6H3,(H,22,24);1H
    Synonyms
    2 - (2 - bromine - 4 - (1 - methyl ethyl) phenoxy] - N - (2,2,6,6 - methyl - 4 - piperidine) - acetamide hydrochlorid...
  2. VPS34 inhibitor 1 (Compound 19)
    CAS: 1383716-46-8 PubChem CID: 67983918 Formula: C21H25N7O Molecular Weight: 391.47
    ◐ .Made to order · 8–12 wks Item #: V414016
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    IUPAC Name
    1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methylpropan-2-ol
    SMILES
    CC(C)(CNC1=NC=C(C(=N1)CC2CC2)C3=NC(=NC=C3)NC4=CC=NC=C4)O
    InChIKey
    XJTIGGCBXFIZJV-UHFFFAOYSA-N
    InChI
    1S/C21H25N7O/c1-21(2,29)13-25-19-24-12-16(18(28-19)11-14-3-4-14)17-7-10-23-20(27-17)26-15-5-8-22-9-6-15/h5-10,12,14,29H,3-4,11,13H2,1-2H3,(H,24,25,28)show more
    Synonyms
    PIK-III analogue2-​Propanol,1-​[[4'-​(cyclopropylmethyl)​-​2-​(4-​pyridinylamino)​[4,​5'-​bipyrimidin]​-​2'-​yl]​amino]...
  3. VTP 27999 trifluoroacetate
    CAS: 1013937-63-7 PubChem CID: 121513870 Formula: C26H41ClN4O5.CF3CO2H Molecular Weight: 639.1
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: V420315
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    IUPAC Name
    methyl N-[2-[(R)-(3-chlorophenyl)-[(3R)-1-[[(2S)-2-(methylamino)-3-[(3R)-oxan-3-yl]propyl]carbamoyl]piperidin-3-yl]methoxy]ethyl]carbamate;2,2,2-triflshow more
    SMILES
    CNC(CC1CCCOC1)CNC(=O)N2CCCC(C2)C(C3=CC(=CC=C3)Cl)OCCNC(=O)OC.C(=O)(C(F)(F)F)O
    InChIKey
    SYWYSVAEGXHOJO-VIEYARBJSA-N
    InChI
    1S/C26H41ClN4O5.C2HF3O2/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2;3-2(4,5)1(6)7/h3,show more
    Synonyms
    MethylN-[2-[(R)-(3-Chlorophenyl)[(3R)-1-[[[(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl]amino]carbony...
  4. VU 0364439
    CAS: 1246086-78-1 PubChem CID: 46934289 Formula: C18H13Cl2N3O3S Molecular Weight: 422.29
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: V408515
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    Synonyms
    2-Pyridinecarboxamide, N-[3-chloro-4-[[(2-chlorophenyl)amino]sulfonyl]phenyl]-
  5. VU661013
    CAS: 2131184-57-9 PubChem CID: 134828256 Formula: C39H39Cl2N5O4 Molecular Weight: 712.66
    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 #: V414159
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    IUPAC Name
    3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2-yl]-1-meshow more
    SMILES
    CC1CN(C(=O)C2=C(C3=C(N12)C(=C(C=C3)Cl)C4=C(N(N=C4C)C)C)CCCOC5=CC(=C(C(=C5)C)Cl)C)C6=CN(C7=C6C=C(C=C7)C(=O)O)C
    InChIKey
    BSAYHBZFNXDOIJ-JOCHJYFZSA-N
    InChI
    1S/C39H39Cl2N5O4/c1-20-15-26(16-21(2)35(20)41)50-14-8-9-27-28-11-12-30(40)34(33-23(4)42-44(7)24(33)5)36(28)46-22(3)18-45(38(47)37(27)46)32-19-43(6)31-show more
    Synonyms
    VU0661013 | 3-[(4R)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol...
  6. VUF 10460
    CAS: 1028327-66-3 PubChem CID: 25129523 Formula: C15H19N5 Molecular Weight: 269.34
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: V420393
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    IUPAC Name
    4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
    SMILES
    CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)N
    InChIKey
    NIJGWJIOMPHDBP-UHFFFAOYSA-N
    InChI
    1S/C15H19N5/c1-19-7-9-20(10-8-19)14-11-13(17-15(16)18-14)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H2,16,17,18)
    Synonyms
    4-(4-Methyl-1-piperazinyl)-6-phenyl-2-Pyrimidinamine
  7. VX-702, MAP kinase p38 alpha inhibitor
    CAS: 745833-23-2 EC Number: 833-998-9 PubChem CID: 10341154 Formula: C19H12F4N4O2 Molecular Weight: 404.32
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: V408898
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    Synonyms
    1-(5-carbamoyl-6-(2,4-difluorophenyl)pyridin-2-yl)-1-(2,6-difluorophenyl)urea
  8. Vaccarin
    CAS: 53452-16-7 PubChem CID: 71307582 Formula: C32H38O19 Molecular Weight: 726.6
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: V424572
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    Technical Identifiers
    IUPAC Name
    6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,show more
    SMILES
    C1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)OC6C(C(C(C(O6)CO)O)O)O)O)CO)O)O)O)O)O
    InChIKey
    GYIKGLVKALOGDP-HLEFUGOVSA-N
    InChI
    1S/C32H38O19/c33-7-17-23(40)26(43)30(51-31-27(44)21(38)14(37)9-46-31)29(49-17)20-13(36)6-16-19(24(20)41)12(35)5-15(48-16)10-1-3-11(4-2-10)47-32-28(45)show more
    Synonyms
    6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5,7-dihy...
  9. Valbenazine tosylate, Synaptic vesicular amine transporter inhibitor
    CAS: 1639208-54-0 PubChem CID: 92042922 Formula: C38H54N2O10S2 Molecular Weight: 762.97
    ● In Stock — US warehouse, ships to EU* Item #: V414414
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    IUPAC Name
    [(2R,3R,11bR)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl] (2S)-2-amino-3-methylbutanoate;4-methylbenzenesulfshow more
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)CC1CN2CCC3=CC(=C(C=C3C2CC1OC(=O)C(C(C)C)N)OC)OC
    InChIKey
    BXGKAGLZHGYAMW-TZYFFPFWSA-N
    InChI
    1S/C24H38N2O4.2C7H8O3S/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4;2*1-6-2-4-7(5-3-6)11(8,9)10/h10-11,1show more
    Synonyms
    L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-yl ester, 4-...
  10. VU453595
    CAS: 1432436-13-9 PubChem CID: 71555066 Formula: C18H15FN4O Molecular Weight: 322.3
    ◐ .Made to order · 8–12 wks Item #: V413540
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    IUPAC Name
    6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one
    SMILES
    CN1C=C(C=N1)C2=CC(=C(C=C2)CN3CC4=C(C3=O)C=CC=N4)F
    InChIKey
    LIZQOZALTSDKFU-UHFFFAOYSA-N
    InChI
    1S/C18H15FN4O/c1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-9H,10-11H2,1H3
  11. VU6015929
    CAS: 2442597-56-8 PubChem CID: 145925694 Formula: C24H19F4N5O2 Molecular Weight: 485.43
    ● In Stock — US warehouse, ships to EU* Item #: V413647
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    IUPAC Name
    4-fluoro-3-[[5-(1-methylpyrazol-3-yl)pyridin-3-yl]methylamino]-N-[3-(trifluoromethoxy)phenyl]benzamide
    SMILES
    CN1C=CC(=N1)C2=CN=CC(=C2)CNC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)OC(F)(F)F)F
    InChIKey
    IZKVIUJIUTXIRH-UHFFFAOYSA-N
    InChI
    1S/C24H19F4N5O2/c1-33-8-7-21(32-33)17-9-15(12-29-14-17)13-30-22-10-16(5-6-20(22)25)23(34)31-18-3-2-4-19(11-18)35-24(26,27)28/h2-12,14,30H,13H2,1H3,(H,show more
    Synonyms
    4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3- (trifluoromethoxy)phenyl)benzamide
  12. VUN65671
    CAS: 2479465-67-1 PubChem CID: 154729054 Formula: C25H30F3N3O2 Molecular Weight: 461.52
    ● In Stock — US warehouse, ships to EU* Item #: V412801
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    IUPAC Name
    N-[4-(4-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
    SMILES
    CC1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)CN4CCOCC4)C(F)(F)F
    InChIKey
    VVJSZYWIEBDKTC-UHFFFAOYSA-N
    InChI
    1S/C25H30F3N3O2/c1-18-8-10-31(11-9-18)23-7-6-21(16-22(23)25(26,27)28)29-24(32)20-4-2-19(3-5-20)17-30-12-14-33-15-13-30/h2-7,16,18H,8-15,17H2,1H3,(H,29show more
    Synonyms
    Compound 35 | EBOV/MARV-IN-1
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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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