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. Dry mica powder
    CAS: 12001-26-2 EC Number: 601-648-2 Formula: K2O.3Al2O3.6SiO2∙2H2O Molecular Weight: 796.65(760.62anhy)
    Solid 800 mesh
    ● In Stock — Germany Item #: D302552
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    Technical Identifiers
    IUPAC Name
    dipotassium;dioxosilane;oxo(oxoalumanyloxy)alumane;oxygen(2-)
    SMILES
    [O-2].O=[Al]O[Al]=O.O=[Si]=O.[K+].[K+]
    InChIKey
    YGANSGVIUGARFR-UHFFFAOYSA-N
    InChI
    1S/2Al.2K.O2Si.4O/c;;;;1-3-2;;;;/q;;2*+1;;;;;-2
    Synonyms
    Muscovite|12001-26-2|Chacaltaite|Astrolit|Astrolite|Cogemika|Serikuron|Fluorian muscovite|Muscovite, fluorian|Clarite...
  2. Duvelisib (IPI-145), PI3-kinase p110-delta subunit inhibitor
    CAS: 1201438-56-3 EC Number: 813-697-9 Formula: C22H17ClN6O Molecular Weight: 416.86
    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 #: D409210
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    Synonyms
    INK1197 | 1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-
  3. Dxd
    CAS: 1599440-33-1 Formula: C26H24FN3O6 Molecular Weight: 493.48
    ● In Stock — US warehouse, ships to EU* Item #: D303024
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    Technical Identifiers
    IUPAC Name
    N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18show more
    SMILES
    CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CO)O
    InChIKey
    PLXLYXLUCNZSAA-QLXKLKPCSA-N
    InChI
    1S/C26H24FN3O6/c1-3-26(35)15-6-19-23-13(8-30(19)24(33)14(15)10-36-25(26)34)22-17(28-20(32)9-31)5-4-12-11(2)16(27)7-18(29-23)21(12)22/h6-7,17,31,35H,3-show more
    Synonyms
    A936339 | N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0,.0,.0,.0,...
  4. Doxylamine Succinate, Histamine H1 receptor antagonist
    CAS: 562-10-7 EC Number: 209-228-7 Formula: C17H22N2O·C4H6O4 Molecular Weight: 388.46
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D424761
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    IUPAC Name
    butanedioic acid;N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine
    SMILES
    CC(C1=CC=CC=C1)(C2=CC=CC=N2)OCCN(C)C.C(CC(=O)O)C(=O)O
    InChIKey
    KBAUFVUYFNWQFM-UHFFFAOYSA-N
    InChI
    1S/C17H22N2O.C4H6O4/c1-17(20-14-13-19(2)3,15-9-5-4-6-10-15)16-11-7-8-12-18-16;5-3(6)1-2-4(7)8/h4-12H,13-14H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
    Synonyms
    Doxylamine succinate|562-10-7|Decapryn|Gittalun|Unisom|Hoggar N|Doxylamine (succinate)|Doxylamine succinate salt|Doxy...
  5. Dracohodin perochlorate
    CAS: 125536-25-6 PubChem CID: 74787691 Formula: C17H15ClO7 Molecular Weight: 366.75
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D421070
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    IUPAC Name
    5-methoxy-6-methyl-2-phenylchromenylium-7-ol;perchlorate
    SMILES
    CC1=C(C2=C(C=C1O)[O+]=C(C=C2)C3=CC=CC=C3)OC.[O-]Cl(=O)(=O)=O
    InChIKey
    KRTYZFUODYMZPG-UHFFFAOYSA-N
    InChI
    1S/C17H14O3.ClHO4/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12;2-1(3,4)5/h3-10H,1-2H3;(H,2,3,4,5)
    Synonyms
    1-​Benzopyrylium,7-​hydroxy-​5-​methoxy-​6-​methyl-​2-​phenyl-​,perchlorate (1:1)
  6. Dracohodin perochlorate
    CAS: 125536-25-6 PubChem CID: 74787691 Formula: C17H15ClO7 Molecular Weight: 366.75
    ● In Stock — US warehouse, ships to EU* Item #: D414379
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    Technical Identifiers
    IUPAC Name
    5-methoxy-6-methyl-2-phenylchromenylium-7-ol;perchlorate
    SMILES
    CC1=C(C2=C(C=C1O)[O+]=C(C=C2)C3=CC=CC=C3)OC.[O-]Cl(=O)(=O)=O
    InChIKey
    KRTYZFUODYMZPG-UHFFFAOYSA-N
    InChI
    1S/C17H14O3.ClHO4/c1-11-14(18)10-16-13(17(11)19-2)8-9-15(20-16)12-6-4-3-5-7-12;2-1(3,4)5/h3-10H,1-2H3;(H,2,3,4,5)
    Synonyms
    1-​Benzopyrylium,7-​hydroxy-​5-​methoxy-​6-​methyl-​2-​phenyl-​,perchlorate (1:1) | Dracorhodin perchlorate
  7. Drofenine Hydrochloride
    CAS: 548-66-3 Formula: C20H32ClNO2 Molecular Weight: 353.93
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: D424676
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    IUPAC Name
    2-(diethylamino)ethyl 2-cyclohexyl-2-phenylacetate;hydrochloride
    SMILES
    CCN(CC)CCOC(=O)C(C1CCCCC1)C2=CC=CC=C2.Cl
    InChIKey
    WIELVDXKOYPANK-UHFFFAOYSA-N
    InChI
    1S/C20H31NO2.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5,7-8,11-12,18-19H,3-4,6,9-10,13-16H2,1-2H3;1H
    Synonyms
    2-AMINO-2-P-TOLYLACETIC ACID | Cyclospasmol (tempelhof) | SCHEMBL446912 | 2-Chloropyridine-5-carbonitrile | Cyclospas...
  8. Dronedarone, Inhibitor of K v1.5
    CAS: 141626-36-0 EC Number: 604-240-2 Formula: C31H44N2O5S Molecular Weight: 556.77
    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 #: D421540
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    IUPAC Name
    N-[2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-yl]methanesulfonamide
    SMILES
    CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC
    InChIKey
    ZQTNQVWKHCQYLQ-UHFFFAOYSA-N
    InChI
    1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-1show more
    Synonyms
    Multaq | A807786 | HY-A0016 | NCGC00188863-02 | Tox21_113008 | DTXSID3048653 | N-(2-Butyl-3-(4-(3-(dibutylamino)propo...
  9. Droperidol, D2-like dopamine receptor antagonist
    CAS: 548-73-2 EC Number: 208-957-8 Formula: C22H22FN3O2 Molecular Weight: 379.43
    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 #: D424677
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    IUPAC Name
    3-[1-[4-(4-fluorophenyl)-4-oxobutyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-benzimidazol-2-one
    SMILES
    C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F
    InChIKey
    RMEDXOLNCUSCGS-UHFFFAOYSA-N
    InChI
    1S/C22H22FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-11H,3,6,12-15H2,(H,24,28)
    Synonyms
    Droleptan | DROPERIDOL [USP MONOGRAPH] | HS-0065 | Inapsine | 1-(1-[3-(p-fluorobenzoyl)propyl]-1,2,3,6-tetrahydro-4-p...
  10. Drospirenone, Progesterone receptor agonist
    CAS: 67392-87-4 EC Number: 266-679-2 Formula: C24H30O3 Molecular Weight: 366.5
    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 #: D408852
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    Synonyms
    ZK 3059 | Spiro[17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthrene-17,2'(5'H)-furan]-3,5'(2H)-dione,
  11. Drotaveraldine
    CAS: 54088-62-9 EC Number: 805-209-8 Formula: C24H29NO5 Molecular Weight: 411.49
    Solid ≥95%
    ● In Stock — US warehouse, ships to EU* Item #: D350026
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    IUPAC Name
    (6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-(3,4-diethoxyphenyl)methanone
    SMILES
    CCOC1=C(C=C(C=C1)C(=O)C2=NCCC3=CC(=C(C=C32)OCC)OCC)OCC
    InChIKey
    GWEJBCQISYBHHZ-UHFFFAOYSA-N
    InChI
    1S/C24H29NO5/c1-5-27-19-10-9-17(14-20(19)28-6-2)24(26)23-18-15-22(30-8-4)21(29-7-3)13-16(18)11-12-25-23/h9-10,13-15H,5-8,11-12H2,1-4H3
    Synonyms
    1-(3,4-diethoxybenzoyl)-6,7-diethoxy-3,4-dihydroisoquinoline | (6,7-diethoxy-3,4-dihydroisoquinolin-1-yl)-(3,4-dietho...
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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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