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 —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. HS-27
    CAS: 1562024-11-6 Formula: C52H60N6O12S Molecular Weight: 993.13
    ● In Stock — US warehouse, ships to EU* Item #: H412366
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    IUPAC Name
    2-[3-[2-[2-[2-[2-[3-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-show more
    SMILES
    CC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC(=C(C=C3)C(=O)N)NCCCOCCOCCOCCOCCOCCCNC(=S)NC4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O
    InChIKey
    QUGHMMYGFASWKI-UHFFFAOYSA-N
    InChI
    1S/C52H60N6O12S/c1-32-47-43(30-51(2,3)31-44(47)61)58(57-32)34-7-10-37(48(53)62)42(27-34)54-14-4-16-64-18-20-66-22-24-68-25-23-67-21-19-65-17-5-15-55-5show more
  2. Halobetasol Propionate, Glucocorticoid receptor agonist
    CAS: 66852-54-8 EC Number: 686-247-0 PubChem CID: 6918178 Formula: C25H31ClF2O5 Molecular Weight: 484.96
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: H425372
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    IUPAC Name
    [(6S,8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phshow more
    SMILES
    CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)CCl
    InChIKey
    BDSYKGHYMJNPAB-LICBFIPMSA-N
    InChI
    1S/C25H31ClF2O5/c1-5-21(32)33-25(20(31)12-26)13(2)8-15-16-10-18(27)17-9-14(29)6-7-22(17,3)24(16,28)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,1show more
    Synonyms
    DTXCID4026636 | Halobetasol propionate [USAN] | SR-01000942239 | DUOBRII COMPONENT HALOBETASOL PROPIONATE | 2-METHOXY...
  3. Halofuginone
    CAS: 55837-20-2 Formula: C16H17BrClN3O3 Molecular Weight: 414.68
    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 #: H424746
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    IUPAC Name
    7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
    SMILES
    C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O
    InChIKey
    LVASCWIMLIKXLA-LSDHHAIUSA-N
    InChI
    1S/C16H17BrClN3O3/c17-11-6-13-10(5-12(11)18)16(24)21(8-20-13)7-9(22)4-14-15(23)2-1-3-19-14/h5-6,8,14-15,19,23H,1-4,7H2/t14-,15+/m0/s1
    Synonyms
    SCHEMBL25596 | 7-Bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxy-2-piperidyl]-2-oxopropyl]-4(3H)-Quinazolinone | AMY39119 | DT...
  4. Halcinonide, Glucocorticoid receptor agonist
    CAS: 3093-35-4 EC Number: 221-439-6 Formula: C24H32ClFO5 Molecular Weight: 454.96
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: H423195
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    IUPAC Name
    (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-onshow more
    SMILES
    CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C
    InChIKey
    MUQNGPZZQDCDFT-JNQJZLCISA-N
    InChI
    1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/tshow more
    Synonyms
    halcinonide|3093-35-4|Halcimat|Halciderm|Halog|Halcinonida|Halcinonidum|Ascochrom|Betacorton|Halcort|Volog|HALOG-E|SQ...
  5. Hederacoside D
    CAS: 760961-03-3 PubChem CID: 21630094 Formula: C53H86O22 Molecular Weight: 1075.24
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: H351975
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    IUPAC Name
    [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-show more
    SMILES
    CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)OC9C(C(C(CO9)O)O)O)C)(C)C)O)O)O)CO)O)O)O
    InChIKey
    UEHILKCNLIKLEV-LXABABOZSA-N
    InChI
    1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(5show more
  6. Harringtonine
    CAS: 26833-85-2 EC Number: 636-661-2 Formula: C28H37NO9 Molecular Weight: 531.6
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: H422945
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    IUPAC Name
    1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(3-hshow more
    SMILES
    CC(C)(CCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O)O
    InChIKey
    HAVJATCHLFRDHY-KSZYUSJVSA-N
    InChI
    1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-show more
    Synonyms
    CCG-269921 | harringtonine | UNII-088662H40F | ZJ-H | 088662H40F | 1-((1S,3aR,14bS)-2-methoxy-1,5,6,8,9,14b-hexahydro...
  7. Hastatoside
    CAS: 50816-24-5 Formula: C17H24O11 Molecular Weight: 404.37
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: H424371
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    IUPAC Name
    methyl (1S,4aR,7S,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pshow more
    SMILES
    CC1CC(=O)C2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O
    InChIKey
    PRZVXHGUJJPSME-CZMSZWGTSA-N
    InChI
    1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10show more
    Synonyms
    methyl (1S,4aR,7S,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-...
  8. Hecogenin Acetate
    CAS: 915-35-5 EC Number: 213-021-7 PubChem CID: 101906 Formula: C29H44O5 Molecular Weight: 472.67
    ● In Stock — US warehouse, ships to EU* Item #: H354833
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    IUPAC Name
    [(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethyl-10-oxospiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl] acetashow more
    SMILES
    CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC(=O)C)C)C)C)OC1
    InChIKey
    CVKZWRTYHCDWTE-RSEFXUKDSA-N
    InChI
    1S/C29H44O5/c1-16-8-11-29(32-15-16)17(2)26-24(34-29)13-23-21-7-6-19-12-20(33-18(3)30)9-10-27(19,4)22(21)14-25(31)28(23,26)5/h16-17,19-24,26H,6-15H2,1-show more
    Synonyms
    BDBM50216627 | Spirostan-12-one, 3-(acetyloxy)-, (3.beta.,5.alpha.,25R)- | Spirostan-12-one, 3-(acetyloxy)-, (3beta,5...
  9. Hederacoside D
    CAS: 760961-03-3 PubChem CID: 21630094 Formula: C53H86O22 Molecular Weight: 1075.24
    2mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: H425865
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    Technical Identifiers
    IUPAC Name
    [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-show more
    SMILES
    CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(CC4C6=CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)OC9C(C(C(CO9)O)O)O)C)(C)C)O)O)O)CO)O)O)O
    InChIKey
    UEHILKCNLIKLEV-LXABABOZSA-N
    InChI
    1S/C53H86O22/c1-23-32(57)35(60)39(64)45(70-23)74-42-27(19-54)71-43(41(66)37(42)62)69-21-28-34(59)36(61)40(65)46(72-28)75-47(67)53-16-14-48(2,3)18-25(5show more
  10. Harmine Hydrochloride
    CAS: 343-27-1 EC Number: 206-443-8 Formula: C13H12N2O·HCl Molecular Weight: 248.71
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: H423503
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    IUPAC Name
    7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;hydrochloride
    SMILES
    CC1=NC=CC2=C1NC3=C2C=CC(=C3)OC.Cl
    InChIKey
    VNPLYCKZIUTKJM-UHFFFAOYSA-N
    InChI
    1S/C13H12N2O.ClH/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;/h3-7,15H,1-2H3;1H
    Synonyms
    AC-34980 | Banisterine Hydrochloride | A-8200 | 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole;hydrochloride | DTXCID10683...
  11. Halazone
    CAS: 80-13-7 Formula: C7H5Cl2NO4S Molecular Weight: 270.08
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: H426064
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    IUPAC Name
    4-(dichlorosulfamoyl)benzoic acid
    SMILES
    C1=CC(=CC=C1C(=O)O)S(=O)(=O)N(Cl)Cl
    InChIKey
    XPDVQPODLRGWPL-UHFFFAOYSA-N
    InChI
    1S/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
    Synonyms
    D90842 | halazone | KBio2_001319 | NSC60717 | NSC757053 | NSC-757053 | Tox21_111104_1 | Cloritines | Pentocid | SPBio...
  12. Haloperidol, Antagonist of 5-HT 1A receptor;Antagonist of 5-HT 1D receptor;Antagonist of 5-HT 2A receptor;Antagonist of 5-HT 2B receptor;Antagonist of 5-HT 7 receptor;Antagonist of D 1 receptor;Antagonist of D 2 receptor;Antagonist of D 3 receptor;Antagonist of D 4 re
    CAS: 52-86-8 EC Number: 200-155-6 Formula: C21H23ClFNO2 Molecular Weight: 375.86
    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 #: H408755
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    Technical Identifiers
    Synonyms
    4-​[4-​(4-​chlorophenyl)​-​4-​hydroxy-​1-​piperidinyl]​-​1-​(4-​fluorophenyl)​-1-​butanone
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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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