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).

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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

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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 (where available)—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. Cyproconazole
    CAS: 113096-99-4 Formula: C15H18ClN3O Molecular Weight: 291.78
    ≥98% sum of Diastereomers
    ● In Stock — US warehouse, ships to EU* Item #: C302226
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    IUPAC Name
    2-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol
    SMILES
    CC(C1CC1)C(CN2C=NC=N2)(C3=CC=C(C=C3)Cl)O
    InChIKey
    UFNOUKDBUJZYDE-UHFFFAOYSA-N
    InChI
    1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
    Synonyms
    Cyproconazole|94361-06-5|Cyproconazol|2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol|Alto|Alto ...
  2. Eact
    CAS: 461000-66-8 Formula: C22H24N2O5S Molecular Weight: 428.5
    ◐ .Made to order · 8–12 wks Item #: E287253
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    IUPAC Name
    3,4,5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
    SMILES
    COCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
    InChIKey
    ZUXNHFFVQWADJL-UHFFFAOYSA-N
    InChI
    1S/C22H24N2O5S/c1-26-11-10-24(22-23-17(14-30-22)15-8-6-5-7-9-15)21(25)16-12-18(27-2)20(29-4)19(13-16)28-3/h5-9,12-14H,10-11H2,1-4H3
    Synonyms
    E73447 | Eact | SY327033 | MS-27589 | 3,4,5-trimethoxy-N-(2-methoxyethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide | AK...
  3. Arg-Gly-Asp-Ser
    CAS: 91037-65-9 Formula: C15H27N7O8 Molecular Weight: 433.42
    Solid ≥95%(HPLC)
    ● In Stock — US warehouse, ships to EU* Item #: A101721
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    IUPAC Name
    (3S)-3-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxobutanoic acid
    SMILES
    C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)N)CN=C(N)N
    InChIKey
    NNRFRJQMBSBXGO-CIUDSAMLSA-N
    InChI
    1S/C15H27N7O8/c16-7(2-1-3-19-15(17)18)12(27)20-5-10(24)21-8(4-11(25)26)13(28)22-9(6-23)14(29)30/h7-9,23H,1-6,16H2,(H,20,27)(H,21,24)(H,22,28)(H,25,26)show more
    Synonyms
    RGDS | (S)-3-[2-((S)-2-Amino-5-guanidino-pentanoylamino)-acetylamino]-N-((R)-1-carboxy-2-hydroxy-ethyl)-succinamic ac...
  4. Elagolix sodium salt, Gonadotropin-releasing hormone receptor antagonist
    CAS: 832720-36-2 EC Number: 692-765-8 PubChem CID: 24785956 Formula: C32H29F5N3NaO5 Molecular Weight: 653.582
    ● In Stock — US warehouse, ships to EU* Item #: E177550
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    IUPAC Name
    sodium;4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]amino]bshow more
    SMILES
    CC1=C(C(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)CC(C3=CC=CC=C3)NCCCC(=O)[O-])C4=C(C(=CC=C4)OC)F.[Na+]
    InChIKey
    DQYGXRQUFSRDCH-UQIIZPHYSA-M
    InChI
    1S/C32H30F5N3O5.Na/c1-19-28(21-11-6-14-26(45-2)29(21)34)30(43)40(18-25(20-9-4-3-5-10-20)38-16-8-15-27(41)42)31(44)39(19)17-22-23(32(35,36)37)12-7-13-2show more
    Synonyms
    Tetramethylenester kyseliny methansulfonove | sodium (R)-4-((2-(5-(2-fluoro-3-methoxyphenyl)-3-(2-fluoro-6-(trifluoro...
  5. Elacridar
    CAS: 143664-11-3 Formula: C34H33N3O5 Molecular Weight: 563.64
    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 #: E126576
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    IUPAC Name
    N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide
    SMILES
    COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC
    InChIKey
    OSFCMRGOZNQUSW-UHFFFAOYSA-N
    InChI
    1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/show more
    Synonyms
    GF 120918 | DB04881 | AM84395 | GG918 | GG-918 | Q27095554 | SMR002529556 | GF120918 | GF-120918 | BCP9000638 | CCG-2...
  6. Efaroxan hydrochloride
    CAS: 89197-00-2 EC Number: 635-875-3 Formula: C13H16N2O·HCl Molecular Weight: 252.74
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: E275849
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    IUPAC Name
    2-(2-ethyl-3H-1-benzofuran-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
    SMILES
    CCC1(CC2=CC=CC=C2O1)C3=NCCN3.Cl
    InChIKey
    DWOIUCRHVWIHAH-UHFFFAOYSA-N
    InChI
    1S/C13H16N2O.ClH/c1-2-13(12-14-7-8-15-12)9-10-5-3-4-6-11(10)16-13;/h3-6H,2,7-9H2,1H3,(H,14,15);1H
    Synonyms
    P16949 | SPECTRUM2300218 | MFCD00069270 | Efaroxan hydrochloride, >=98% (HPLC) | NCGC00093915-01 | EU-0100521 | Pharm...
  7. Y-26763
    CAS: 127408-31-5 PubChem CID: 121878 Formula: C14H16N2O4 Molecular Weight: 276.29
    ◐ .Made to order · 8–12 wks Item #: Y287194
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    IUPAC Name
    N-[(3S,4R)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-N-hydroxyacetamide
    SMILES
    CC(=O)N(C1C(C(OC2=C1C=C(C=C2)C#N)(C)C)O)O
    InChIKey
    IWTCFIIOUXJOOV-OLZOCXBDSA-N
    InChI
    1S/C14H16N2O4/c1-8(17)16(19)12-10-6-9(7-15)4-5-11(10)20-14(2,3)13(12)18/h4-6,12-13,18-19H,1-3H3/t12-,13+/m1/s1
    Synonyms
    CHEBI:92788 | MFCD00888284 | HY-101069 | N-[(3S,4R)-6-CYANO-3,4-DIHYDRO-3-HYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-4-YL]-...
  8. Indoprofen, Cyclooxygenase inhibitor
    CAS: 31842-01-0 EC Number: 250-833-0 Formula: C17H15NO3 Molecular Weight: 281.31
    Solid Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    ● In Stock — US warehouse, ships to EU* Item #: I136546
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    IUPAC Name
    2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid
    SMILES
    CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O
    InChIKey
    RJMIEHBSYVWVIN-UHFFFAOYSA-N
    InChI
    1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)
    Synonyms
    (+/-)-Indoprofe | HMS2097H13 | MLS001146951 | Prestwick_1001 | ( inverted exclamation markA)-Indoprofe | indoprofen o...
  9. Enalaprilat Dihydrate, Angiotensin-converting enzyme inhibitor
    CAS: 84680-54-6 EC Number: 689-724-1 PubChem CID: 6917719 Formula: C18H24N2O5·2H2O Molecular Weight: 348.42
    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 #: E129224
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    IUPAC Name
    (2S)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]pyrrolidine-2-carboxylic acid;dihydrate
    SMILES
    CC(C(=O)N1CCCC1C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O.O.O
    InChIKey
    MZYVOFLIPYDBGD-MLZQUWKJSA-N
    InChI
    1S/C18H24N2O5.2H2O/c1-12(16(21)20-11-5-8-15(20)18(24)25)19-14(17(22)23)10-9-13-6-3-2-4-7-13;;/h2-4,6-7,12,14-15,19H,5,8-11H2,1H3,(H,22,23)(H,24,25);2*show more
    Synonyms
    Enalaprilat (USP) | MEGxp0_000829 | Enalaprilat dihydrate, European Pharmacopoeia (EP) Reference Standard | HMS3715J1...
  10. Endo-8-Isopropyl-8-Azabicyclo[3.2.1]Octan-3-ol
    CAS: 3423-25-4 EC Number: 222-314-9 Formula: C10H19NO Molecular Weight: 169.26
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: E303483
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    IUPAC Name
    8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
    SMILES
    CC(C)N1C2CCC1CC(C2)O
    InChIKey
    YYDQYSQZIUSKFN-UHFFFAOYSA-N
    InChI
    1S/C10H19NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-10,12H,3-6H2,1-2H3
    Synonyms
    8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol | AKOS011240753 | EN300-89000 | SCHEMBL10362733 | 1alphaH,5alphaH-Nortr...
  11. Quercetin 3-β-D-glucoside
    CAS: 482-35-9 EC Number: 483-280-0 PubChem CID: 5280804 Formula: C21H20O12 Molecular Weight: 464.38
    ● In Stock — US warehouse, ships to EU* Item #: Q109588
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    IUPAC Name
    2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
    SMILES
    C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
    InChIKey
    OVSQVDMCBVZWGM-QSOFNFLRSA-N
    InChI
    1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/tshow more
    Synonyms
    BRD-K73991644-001-01-7 | Isoquercitrin | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6...
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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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