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. Cimifugin, Inhibitor of TRPV4
    CAS: 37921-38-3 Formula: C16H18O6 Molecular Weight: 306.31
    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 #: C423706
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    IUPAC Name
    (2S)-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
    SMILES
    CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO)O
    InChIKey
    ATDBDSBKYKMRGZ-ZDUSSCGKSA-N
    InChI
    1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3/t13-/m0/s1
    Synonyms
    AC1L9C0B | AC-34701 | Cimitin | (2S)-2,3-Dihydro-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-5H-furo[3,2-...
  2. Chymostatin
    CAS: 9076-44-2 Formula: C31H41N7O6 Molecular Weight: 607.7
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%(a mixture of A, B, C)
    ● In Stock — US warehouse, ships to EU* Item #: C113165
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    IUPAC Name
    2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[4-methyl-1-oxo-1-[(1-oxo-3-phenylpropan-2-yl)amino]pentan-2-yl]amino]-2-oxoethyl]carbamoylamino]-show more
    SMILES
    CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C=O)NC(=O)C(C2CCN=C(N2)N)NC(=O)NC(CC3=CC=CC=C3)C(=O)O
    InChIKey
    MRXDGVXSWIXTQL-UHFFFAOYSA-N
    InChI
    1S/C31H41N7O6/c1-19(2)15-24(27(40)34-22(18-39)16-20-9-5-3-6-10-20)35-28(41)26(23-13-14-33-30(32)36-23)38-31(44)37-25(29(42)43)17-21-11-7-4-8-12-21/h3-show more
    Synonyms
    FT-0623815 | EINECS 257-382-9 | SCHEMBL14029469 | 2-[[1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-[[4-methyl-1-oxo...
  3. Cinepazide maleate
    CAS: 26328-04-1 EC Number: 247-613-1 PubChem CID: 5282458 Formula: C22H31N3O5·C4H4O4 Molecular Weight: 533.57
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C408021
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    Synonyms
    2-Propen-1-one, 1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-, (2Z)-2-butenedioate ...
  4. Cinitapride Hydrogen Tartrate
    CAS: 1207859-16-2 Formula: C25H36N4O10 Molecular Weight: 552.57
    ● In Stock — US warehouse, ships to EU* Item #: C413346
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    Technical Identifiers
    IUPAC Name
    4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide;(2R,3R)-2,3-dihydroxybutanedioic acid
    SMILES
    CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N.C(C(C(=O)O)O)(C(=O)O)O
    InChIKey
    HVANMRCHFMTSEG-LREBCSMRSA-N
    InChI
    1S/C21H30N4O4.C4H6O6/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15;5-1(3(7)8)2(6)4(9)10/h3-4,12-13,15-16H,2,show more
    Synonyms
    2Z90GEN540 | Blaston (TN) | LAS 17177 | D07701 | Cinitapride tartrate [MI] | cinitapride tartrate | 1207859-16-2 | HM...
  5. Cinitapride Hydrogen Tartrate
    CAS: 1207859-16-2 Formula: C25H36N4O10 Molecular Weight: 552.57
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C420912
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    Technical Identifiers
    IUPAC Name
    4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide;(2R,3R)-2,3-dihydroxybutanedioic acid
    SMILES
    CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)[N+](=O)[O-])N.C(C(C(=O)O)O)(C(=O)O)O
    InChIKey
    HVANMRCHFMTSEG-LREBCSMRSA-N
    InChI
    1S/C21H30N4O4.C4H6O6/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15;5-1(3(7)8)2(6)4(9)10/h3-4,12-13,15-16H,2,show more
    Synonyms
    cinitapride tartrate|Cidine|Cinitapride hydrogen tartrate|1207859-16-2|Cinitapride tartrate [MI]|LAS-17177|UNII-2Z90G...
  6. Cinacalcet (AMG-073) HCl, Calcium sensing receptor positive allosteric modulator
    CAS: 364782-34-3 EC Number: 620-490-5 PubChem CID: 156418 Formula: C22H22F3N·HCl Molecular Weight: 393.87
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: C409164
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    Synonyms
    (R)-N-(1-(naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propan-1-amine hydrochloride
  7. Cinacalcet HCl, Calcium sensing receptor positive allosteric modulator
    CAS: 364782-34-3 EC Number: 620-490-5 PubChem CID: 156418 Formula: C22H22F3N·HCl Molecular Weight: 393.87
    Solid ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: C129866
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    Technical Identifiers
    IUPAC Name
    N-[(1R)-1-naphthalen-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
    SMILES
    CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F.Cl
    InChIKey
    QANQWUQOEJZMLL-PKLMIRHRSA-N
    InChI
    1S/C22H22F3N.ClH/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25;/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3;1H/t16-;/m1./s1
    Synonyms
    1-Naphthalenemethanamine, a-methyl-N-(3-(3-(trifluoromethyl)phenyl)propyl)-,(aR)-, Hydrochloride | CAS-364782-34-3 | ...
  8. Cinanserin hydrochloride
    CAS: 54-84-2 Formula: C20H24N2OS•HCl Molecular Weight: 376.94
    ◐ .Made to order · 8–12 wks Item #: C288555
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    IUPAC Name
    (E)-N-[2-[3-(dimethylamino)propylsulfanyl]phenyl]-3-phenylprop-2-enamide;hydrochloride
    SMILES
    CN(C)CCCSC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2.Cl
    InChIKey
    LXGJPDKYMJJWRB-IERUDJENSA-N
    InChI
    1S/C20H24N2OS.ClH/c1-22(2)15-8-16-24-19-12-7-6-11-18(19)21-20(23)14-13-17-9-4-3-5-10-17;/h3-7,9-14H,8,15-16H2,1-2H3,(H,21,23);1H/b14-13+;
    Synonyms
    AKOS037649253 | 2-Propenamide, N-[2-[[3-(dimethylamino)propyl]thio]phenyl]-3-phenyl-,monohydrochloride | Cinanserin H...
  9. Cilengitide, Integrin alpha-V/beta-5 antagonist
    CAS: 188968-51-6 Formula: C27H40N8O7 Molecular Weight: 588.66
    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 #: C422313
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    IUPAC Name
    2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acshow more
    SMILES
    CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N
    InChIKey
    AMLYAMJWYAIXIA-VWNVYAMZSA-N
    InChI
    1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,show more
    Synonyms
    NSC 707544 | DTXSID9044035 | c(RGDfMeV) | HY-16141 | 4EDF46E4GI | Cilengitide | Cilengitide [USAN:INN] | EMD121974 | ...
  10. Cilengitide trifluoroacetate
    CAS: 199807-35-7 PubChem CID: 129626550 Formula: C29H41F3N8O9 Molecular Weight: 702.68
    ● In Stock — US warehouse, ships to EU* Item #: C413707
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    Technical Identifiers
    IUPAC Name
    2-[(2S,5R,8S,11S)-5-benzyl-11-[3-(diaminomethylideneamino)propyl]-7-methyl-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acshow more
    SMILES
    CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N.C(=O)(C(F)(F)F)O
    InChIKey
    WHJCSACXAPYNTG-LOPTWHKWSA-N
    InChI
    1S/C27H40N8O7.C2HF3O2/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16;3-2(show more
    Synonyms
    EMD 121974 | NSC 707544Cyclo(L-arginylglycyl-L-α-aspartyl-D-phenylalanyl-N-methyl-L-valyl) 2,2,2-trifluoroacetic acid...
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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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