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. Harzianum A
    CAS: 156250-74-7 Formula: C23H28O6 Molecular Weight: 400.47
    ◐ .Made to order · 8–12 wks Item #: H329577
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    IUPAC Name
    (2E,4E,6E)-8-oxo-8-(1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl)oxyocta-2,4,6-trienoic acid
    SMILES
    CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)OC(=O)C=CC=CC=CC(=O)O)C)C
    InChIKey
    FVRDNLIUSWSBCT-WUJFNTSISA-N
    InChI
    1S/C23H28O6/c1-15-10-11-21(2)16(12-15)28-18-13-17(22(21,3)23(18)14-27-23)29-20(26)9-7-5-4-6-8-19(24)25/h4-9,12,16-18H,10-11,13-14H2,1-3H3,(H,24,25)/b5show more
    Synonyms
    Harzianum B | (2E,4E,6E)-8-Oxo-8-(1,2,5-trimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl)oxyo...
  2. Tenatoprazole
    CAS: 113712-98-4 PubChem CID: 636411 Formula: C16H18N4O3S Molecular Weight: 346.4
    ● In Stock — US Item #: T166018
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    IUPAC Name
    5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
    SMILES
    CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=CC(=N3)OC
    InChIKey
    ZBFDAUIVDSSISP-UHFFFAOYSA-N
    InChI
    1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)
    Synonyms
    AC-35641 | (-)-5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]imidazo[4,5-b]pyridine | TENATOPRAZO...
  3. Quinidine Sulfate, Sodium channel alpha subunit blocker
    CAS: 6591-63-5 EC Number: 200-046-3 PubChem CID: 656862 Formula: C40H48N4O4.H2SO4.2H2O Molecular Weight: 782.94
    ● In Stock — US Item #: Q109529
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    IUPAC Name
    (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid;dihydrate
    SMILES
    COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.O.O.OS(=O)(=O)O
    InChIKey
    ZHNFLHYOFXQIOW-AHSOWCEXSA-N
    InChI
    1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-show more
    Synonyms
    QUINIDINE SULFATE (2:1) (SALT), DIHYDRATE [WHO-IP] | QUINIDINI SULFAS [WHO-IP LATIN] | Quinidine sulfate hydrate | Qu...
  4. Sinefungin(A-9145)
    CAS: 58944-73-3 EC Number: 637-385-5 PubChem CID: 65482 Formula: C15H23N7O5 Molecular Weight: 381.39
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ● In Stock — US Item #: S275398
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    IUPAC Name
    (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid
    SMILES
    C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O)N
    InChIKey
    LMXOHSDXUQEUSF-YECHIGJVSA-N
    InChI
    1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/show more
    Synonyms
    BRN 3574678 | Decofuranuronic acid, 6,9-diamino-1-(6-amino-9H-purin-9-yl)-1,5,6,7,8,9-hexadeoxy-, (beta-D-ribo)- | LI...
  5. HS-10296
    CAS: 1899921-05-1 Formula: C30H35N7O2 Molecular Weight: 525.64
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ● In Stock — US Item #: H305277
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    IUPAC Name
    N-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide
    SMILES
    CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)C5CC5)OC
    InChIKey
    DOEOECWDNSEFDN-UHFFFAOYSA-N
    InChI
    1S/C30H35N7O2/c1-6-29(38)32-24-17-25(28(39-5)18-27(24)36(4)16-15-35(2)3)34-30-31-14-13-23(33-30)22-19-37(20-11-12-20)26-10-8-7-9-21(22)26/h6-10,13-14,show more
    Synonyms
    1899921-05-1 | Egfr T790M inhibitor HS-10296 | HS10296 | HS-10296 | N-[5-[[4-(1-cyclopropylindol-3-yl)pyrimidin-2-yl]...
  6. Sinigrin Hydrate
    CAS: 3952-98-5 EC Number: 223-545-8 PubChem CID: 23682211 Formula: C10H16NO9S2·K·xH2O Molecular Weight: 397.46 (anhydrous basis)
    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 Item #: S121209
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    IUPAC Name
    potassium;[(E)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylbut-3-enylideneamino] sulfate
    SMILES
    C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]
    InChIKey
    QKFAFSGJTMHRRY-OCFLFPRFSA-M
    InChI
    1S/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6+;/t5-,7-,8+,9-,10show more
    Synonyms
    SCHEMBL17239385 | CCG-268622 | Sinigrin potassium salt | FS-7028 | (-)-Sinigrin hydrate | AC-34287 | HY-N0404 | Sinig...
  7. Ganciclovir Sodium Salt, Human herpesvirus 1 DNA polymerase inhibitor
    CAS: 107910-75-8 Formula: C9H12N5NaO4 Molecular Weight: 277.22
    ● In Stock — US Item #: G342352
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    IUPAC Name
    sodium;2-amino-9-(1,3-dihydroxypropan-2-yloxymethyl)purin-6-olate
    SMILES
    C1=NC2=C(N1COC(CO)CO)N=C(N=C2[O-])N.[Na+]
    InChIKey
    JJICLMJFIKGAAU-UHFFFAOYSA-M
    InChI
    1S/C9H13N5O4.Na/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16;/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17);/q;+1/p-1
    Synonyms
    AKOS015896059 | Ganciclovir (as sodium) | MFCD00873979 | GCV Sodium | Ganciclovir sodium (USAN) | J-002034 | 6H-Purin...
  8. SUN-B 8155
    CAS: 345893-91-6 PubChem CID: 135484493 Formula: C14H15N3O3 Molecular Weight: 273.29
    ● In Stock — US Item #: S287171
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    IUPAC Name
    5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-1,6-dihydroxy-4-methylpyridin-2-one
    SMILES
    CC1=CC(=O)N(C(=C1C(=NC2=CC=CC=C2N)C)O)O
    InChIKey
    SGJLINMLDNLWOS-UHFFFAOYSA-N
    InChI
    1S/C14H15N3O3/c1-8-7-12(18)17(20)14(19)13(8)9(2)16-11-6-4-3-5-10(11)15/h3-7,19-20H,15H2,1-2H3
    Synonyms
    HMS3414P15 | J-019664 | 5-[1-[(2-Aminophenyl)imino]ethyl]-1,6-dihydroxy-4-methyl-2(1H)-pyridinone | 5-(1-((2-Aminophe...
  9. Heparan Sulfate
    CAS: 9050-30-0 EC Number: 232-939-9 PubChem CID: 137699201 Formula: C12H19NO20S3(monomer) Molecular Weight: 593.47 (monomer)
    Solid Potency ≥ 50IU/mg
    ● In Stock — US Item #: H304938
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    IUPAC Name
    azane;(3R,4R,5S,6R)-3-[(2S,3S,4R,5R)-5-[(2R,3S,4S,5R)-6-carboxylato-4-hydroxy-5-methoxy-3-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-3-(sulfonatoamino)-6-(sushow more
    SMILES
    COC1C(C(C(OC1C(=O)[O-])OC2C(OC(C(C2O)NS(=O)(=O)[O-])OC3C(C(C(OC3C(=O)[O-])OC4C(OC(C(C4OS(=O)(=O)[O-])NS(=O)(=O)[O-])OC)COS(=O)(=O)[O-])O)O)COS(=O)(=O)show more
    InChIKey
    XSIDRQZFWFCLLF-VYLUHDBLSA-F
    InChI
    1S/C26H44N2O39S6.H3N/c1-55-16-12(32)18(67-73(52,53)54)26(65-19(16)21(33)34)61-13-5(3-57-70(43,44)45)60-24(7(9(13)29)27-68(37,38)39)63-17-10(30)11(31)2show more
    Synonyms
    Heparansulfate | azane;(3R,4R,5S,6R)-3-[(2S,3S,4R,5R)-5-[(2R,3S,4S,5R)-6-carboxylato-4-hydroxy-5-methoxy-3-sulfonatoo...
  10. Ganglioside GD1a disodium salt
    CAS: 12707-58-3 Formula: C84H146N4O39 • 2Na Molecular Weight: 1836.10
    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 #: G336769
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    Synonyms
    Disialoganglioside GD1a*2Na | ganglioside GDla | C84H146N4O39.2Na | Ganglioside GD1a disodium salt | Ganglioside GD1 ...
  11. Heptakis-(6-mercapto-6-deoxy)-β-cyclodextrin
    CAS: 160661-60-9 Formula: C42H70O28S7 Molecular Weight: 1247.41
    Solid ≥98%
    ● In Stock — US Item #: H303030
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    Technical Identifiers
    IUPAC Name
    5,10,15,20,25,30,35-heptakis(sulfanylmethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31show more
    SMILES
    C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CS)CS)CS)CS)CS)CS)O)O)S
    InChIKey
    MAQZFSOYQPJIOQ-UHFFFAOYSA-N
    InChI
    1S/C42H70O28S7/c43-15-22(50)36-57-8(1-71)29(15)64-37-23(51)16(44)31(10(3-73)58-37)66-39-25(53)18(46)33(12(5-75)60-39)68-41-27(55)20(48)35(14(7-77)62-4show more
  12. Fluopyram
    CAS: 658066-35-4 EC Number: 619-797-7 Formula: C16H11ClF6N2O Molecular Weight: 396.71
    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 Item #: F304303
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    IUPAC Name
    N-[2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]ethyl]-2-(trifluoromethyl)benzamide
    SMILES
    C1=CC=C(C(=C1)C(=O)NCCC2=C(C=C(C=N2)C(F)(F)F)Cl)C(F)(F)F
    InChIKey
    KVDJTXBXMWJJEF-UHFFFAOYSA-N
    InChI
    1S/C16H11ClF6N2O/c17-12-7-9(15(18,19)20)8-25-13(12)5-6-24-14(26)10-3-1-2-4-11(10)16(21,22)23/h1-4,7-8H,5-6H2,(H,24,26)
    Synonyms
    n-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]-2-trifluoromethylbenzamide | AE C656948 | AKOS027323805 | DTXSI...
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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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