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. GSK360A
    CAS: 931399-19-8 Formula: C17H17FN2O5 Molecular Weight: 348.33
    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 #: G339111
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    Technical Identifiers
    IUPAC Name
    2-[[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
    SMILES
    C1CC1CCN2C3=C(C=C(C=C3)F)C(=C(C2=O)C(=O)NCC(=O)O)O
    InChIKey
    TYHRZQVUPPODPT-UHFFFAOYSA-N
    InChI
    1S/C17H17FN2O5/c18-10-3-4-12-11(7-10)15(23)14(16(24)19-8-13(21)22)17(25)20(12)6-5-9-1-2-9/h3-4,7,9,23H,1-2,5-6,8H2,(H,19,24)(H,21,22)
    Synonyms
    2-[[1-(2-cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid | DTXSID10715754 | GSK360A ...
  2. ADL5859 HCl
    CAS: 850173-95-4 Formula: C24H28N2O3·HCl Molecular Weight: 428.96
    ● In Stock — US warehouse, ships to EU* Item #: A127848
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    IUPAC Name
    N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzamide;hydrochloride
    SMILES
    CCN(CC)C(=O)C1=CC=C(C=C1)C2=CC3(CCNCC3)OC4=CC=CC(=C42)O.Cl
    InChIKey
    ZFNLSWREIULTDO-UHFFFAOYSA-N
    InChI
    1S/C24H28N2O3.ClH/c1-3-26(4-2)23(28)18-10-8-17(9-11-18)19-16-24(12-14-25-15-13-24)29-21-7-5-6-20(27)22(19)21;/h5-11,16,25,27H,3-4,12-15H2,1-2H3;1H
    Synonyms
    EX-8608 | SW219439-1 | MLS006010290 | DTXSID20677374 | MFCD17215194 | 850173-95-4 (ADL 5859 HCl) | FT-0719997 | J-523...
  3. ADX 10059 hydrochloride
    CAS: 757949-98-7 Formula: C15H13FN2•HCl Molecular Weight: 276.73
    ◐ .Made to order · 8–12 wks Item #: A288223
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    IUPAC Name
    2-[2-(3-fluorophenyl)ethynyl]-4,6-dimethylpyridin-3-amine;hydrochloride
    SMILES
    CC1=CC(=NC(=C1N)C#CC2=CC(=CC=C2)F)C.Cl
    InChIKey
    BDXXMGYKLQZXOU-UHFFFAOYSA-N
    InChI
    1S/C15H13FN2.ClH/c1-10-8-11(2)18-14(15(10)17)7-6-12-4-3-5-13(16)9-12;/h3-5,8-9H,17H2,1-2H3;1H
    Synonyms
    Raseglurant | 2-[(3-Fluorophenyl)ethynyl]-4,6-dimethyl-3-pyridinamine hydrochloride
  4. Acegastrodine
    CAS: 64291-41-4 Formula: C21H26O11 Molecular Weight: 454.43
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    ◐ .Made to order · 8–12 wks Item #: A304259
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    IUPAC Name
    [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-(hydroxymethyl)phenoxy]oxan-2-yl]methyl acetate
    SMILES
    CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)CO)OC(=O)C)OC(=O)C)OC(=O)C
    InChIKey
    HGUDVDQXCUHOED-YMQHIKHWSA-N
    InChI
    1S/C21H26O11/c1-11(23)27-10-17-18(28-12(2)24)19(29-13(3)25)20(30-14(4)26)21(32-17)31-16-7-5-15(9-22)6-8-16/h5-8,17-22H,9-10H2,1-4H3/t17-,18-,19+,20-,2show more
    Synonyms
    4-(Hydroxymethyl)phenyl-beta-Dglucopyranoside tetraacetate | b-D-Glucopyranoside, 4-(hydroxymethyl)phenyl, 2,3,4,6-te...
  5. [4-(3,5-Dichlorophenyl)phenyl]methylamine hydrochloride
    CAS: 518357-39-6 PubChem CID: 17998852 Formula: C13H11NCl2•HCl Molecular Weight: 288.6
    ● In Stock — US warehouse, ships to EU* Item #: D355989
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    IUPAC Name
    [4-(3,5-dichlorophenyl)phenyl]methanamine;hydrochloride
    SMILES
    C1=CC(=CC=C1CN)C2=CC(=CC(=C2)Cl)Cl.Cl
    InChIKey
    DXTVPISDIGCIAG-UHFFFAOYSA-N
    InChI
    1S/C13H11Cl2N.ClH/c14-12-5-11(6-13(15)7-12)10-3-1-9(8-16)2-4-10;/h1-7H,8,16H2;1H
    Synonyms
    A912862 | 4-(3,5-DICHLOROPHENYL)BENZYLAMINE HCL | (4-(3,5-dichlorophenyl)phenyl)methylamine hcl | [4-(3,5-dichlorophe...
  6. [4-(6-Formylpyridin-2-yl)phenyl]carbamic acid tert-butyl ester
    CAS: 834884-86-5 Formula: C17H18N2O3 Molecular Weight: 298.3
    ● In Stock — US warehouse, ships to EU* Item #: F355976
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    IUPAC Name
    tert-butyl N-[4-(6-formylpyridin-2-yl)phenyl]carbamate
    SMILES
    CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC=CC(=N2)C=O
    InChIKey
    UKAPEGUQXJZYQQ-UHFFFAOYSA-N
    InChI
    1S/C17H18N2O3/c1-17(2,3)22-16(21)19-13-9-7-12(8-10-13)15-6-4-5-14(11-20)18-15/h4-11H,1-3H3,(H,19,21)
    Synonyms
    AKOS015960181 | [4-(6-FORMYLPYRIDIN-2-YL)PHENYL]CARBAMIC ACID TERT-BUTYL ESTER | MFCD07776852 | Z2044820897 | TERT-BU...
  7. AF 64394
    CAS: 1637300-25-4 Formula: C21H20ClN5O Molecular Weight: 393.87
    ● In Stock — US warehouse, ships to EU* Item #: A288554
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    IUPAC Name
    N-[(4-chloro-2-propan-2-yloxyphenyl)methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
    SMILES
    CC(C)OC1=C(C=CC(=C1)Cl)CNC2=CC(=NC3=NC=NN23)C4=CC=CC=C4
    InChIKey
    WBYNZQXAAWPAGR-UHFFFAOYSA-N
    InChI
    1S/C21H20ClN5O/c1-14(2)28-19-10-17(22)9-8-16(19)12-23-20-11-18(15-6-4-3-5-7-15)26-21-24-13-25-27(20)21/h3-11,13-14,23H,12H2,1-2H3
    Synonyms
    N-[[4-Chloro-2-(1-methylethoxy)phenyl]methyl]-5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
  8. Fibrinopeptide B, human
    CAS: 36204-23-6 PubChem CID: 16132131 Formula: C66H93N19O25 Molecular Weight: 1552.56
    ● In Stock — US warehouse, ships to EU* Item #: F118924
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    IUPAC Name
    (4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-3-methyl-2-[[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]show more
    SMILES
    CC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CO)Cshow more
    InChIKey
    MYRIFIVQGRMHRF-OECXYHNASA-N
    InChI
    1S/C66H93N19O25/c1-31(2)53(85-49(91)29-73-55(99)35-16-19-47(89)75-35)64(108)83-42(26-46(68)88)61(105)82-43(27-52(96)97)62(106)81-41(25-45(67)87)60(104show more
    Synonyms
    FPB,human TFA | Fibrinopeptide B human | Fibrinopeptide B | Fibrinopeptide B (human) | Fibrinopeptide B, human | FPB,...
  9. Acetyl-4-chloro-D-phenylalanine
    CAS: 135270-40-5 Formula: C11H12ClNO3 Molecular Weight: 241.67
    ● In Stock — US warehouse, ships to EU* Item #: A354235
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    IUPAC Name
    (2R)-2-acetamido-3-(4-chlorophenyl)propanoic acid
    SMILES
    CC(=O)NC(CC1=CC=C(C=C1)Cl)C(=O)O
    InChIKey
    HLORMWAKCPDIPU-SNVBAGLBSA-N
    InChI
    1S/C11H12ClNO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m1/s1
    Synonyms
    Acetyl-4-chloro-D-phenylalanine | (R)-2-acetamido-3-(4-chlorophenyl)propanoicacid | Ac-p-chloro-D-Phe-OH | N-Acetyl-D...
  10. Acetyl-4-iodo-D-phenylalanine
    CAS: 201351-59-9 Formula: C11H12INO3 Molecular Weight: 333.12
    ● In Stock — US warehouse, ships to EU* Item #: A354221
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    IUPAC Name
    (2R)-2-acetamido-3-(4-iodophenyl)propanoic acid
    SMILES
    CC(=O)NC(CC1=CC=C(C=C1)I)C(=O)O
    InChIKey
    RTVNNJWKXVLALU-SNVBAGLBSA-N
    InChI
    1S/C11H12INO3/c1-7(14)13-10(11(15)16)6-8-2-4-9(12)5-3-8/h2-5,10H,6H2,1H3,(H,13,14)(H,15,16)/t10-/m1/s1
    Synonyms
    DTXSID201304069 | (R)-2-Acetamido-3-(4-iodophenyl)propanoicacid | AKOS027250992 | (2R)-2-acetamido-3-(4-iodophenyl)pr...
  11. BGT226 (NVP-BGT226) maleate, PI3-kinase class I inhibitor
    CAS: 1245537-68-1 Formula: C28H25F3N6O2.C4H4O4 Molecular Weight: 650.6
    ● In Stock — US warehouse, ships to EU* Item #: N125612
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    IUPAC Name
    (Z)-but-2-enedioic acid;8-(6-methoxypyridin-3-yl)-3-methyl-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
    SMILES
    CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC.C(=CC(=O)O)C(=O)O
    InChIKey
    YUXMAKUNSXIEKN-BTJKTKAUSA-N
    InChI
    1S/C28H25F3N6O2.C4H4O4/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36;show more
    Synonyms
    SCHEMBL996046 | BGT226 maleate | BGT-226 maleate | BGT226 (NVP-BGT226) | Di-2-thienyl ketone; Bis(2-thienyl)ketone~Di...
  12. [4-(4-Fluorophenyl)phenyl]methylamine hydrochloride
    CAS: 518357-40-9 PubChem CID: 17998854 Formula: C13H12FN·HCl Molecular Weight: 237.7
    ● In Stock — US warehouse, ships to EU* Item #: F355987
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    Technical Identifiers
    IUPAC Name
    [4-(4-fluorophenyl)phenyl]methanamine;hydrochloride
    SMILES
    C1=CC(=CC=C1CN)C2=CC=C(C=C2)F.Cl
    InChIKey
    IZUWYHXAARRMGW-UHFFFAOYSA-N
    InChI
    1S/C13H12FN.ClH/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11;/h1-8H,9,15H2;1H
    Synonyms
    (4'-fluorobiphenyl-4-yl)methanamine hydrochloride | c-(4'-fluorobiphenyl-4-yl)methylamine HCl | 4-(4-Fluorophenylbenz...
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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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