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. Ipratropium Bromide
    CAS: 22254-24-6 EC Number: 244-873-8 Formula: C20H30BrNO3 Molecular Weight: 412.37
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: I408224
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    Technical Identifiers
    Synonyms
    (3-​endo,​8-​syn)​-3-​(3-​hydroxy-​1-​oxo-​2-​phenylpropoxy)​-​8-​methyl-​8-​(1-​methylethyl)​-​8-​azoniabicyclo[3.2.1]...
  2. Ipratropium Bromide Monohydrate, Muscarinic acetylcholine receptor M3 antagonist
    CAS: 66985-17-9 Formula: C20H30BrNO3·H2O Molecular Weight: 430.39
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: I425375
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    IUPAC Name
    [(1R,5S)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate;bromide;hydrate
    SMILES
    CC(C)[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.O.[Br-]
    InChIKey
    KEWHKYJURDBRMN-XFQAGIBXSA-M
    InChI
    1S/C20H30NO3.BrH.H2O/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H;1H2/q+1;;/p-1/t16-,1show more
    Synonyms
    Ipratropium bromide hydrate|66985-17-9|Ipratropium bromide monohydrate|DTXSID3045772|Atrovent|8-Azoniabicyclo[3.2.1]o...
  3. Iron Chelator, Dp44mT
    CAS: 152095-12-0 Formula: C14H15N5S Molecular Weight: 285.37
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: I421802
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    IUPAC Name
    3-(dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea
    SMILES
    CN(C)C(=S)NN=C(C1=CC=CC=N1)C2=CC=CC=N2
    InChIKey
    XOBIGRNRXCAMJQ-UHFFFAOYSA-N
    InChI
    1S/C14H15N5S/c1-19(2)14(20)18-17-13(11-7-3-5-9-15-11)12-8-4-6-10-16-12/h3-10H,1-2H3,(H,18,20)
    Synonyms
    DTXSID80438322 | 2-(Di(pyridin-2-yl)methylene)-N,N-dimethylhydrazinecarbothioamide | J-008883 | 3-[bis(2-pyridyl)meth...
  4. Iohexol, Diagnostic agent
    CAS: 66108-95-0 EC Number: 266-164-2 Formula: C19H26I3N3O9 Molecular Weight: 821.14
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: I425328
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    IUPAC Name
    5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
    SMILES
    CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
    InChIKey
    NTHXOOBQLCIOLC-UHFFFAOYSA-N
    InChI
    1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33show more
    Synonyms
    iohexol|66108-95-0|Omnipaque|Nycodenz|Exypaque|Iohexolum|Omnipaque 240|Omnipaque 70|Omnipaque 140|Omnipaque 180|Omnip...
  5. Iopamidol, Diagnostic agent
    CAS: 60166-93-0 EC Number: 262-093-6 Formula: C17H22I3N3O8 Molecular Weight: 777.09
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: I424998
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    IUPAC Name
    1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-[[(2S)-2-hydroxypropanoyl]amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
    SMILES
    CC(C(=O)NC1=C(C(=C(C(=C1I)C(=O)NC(CO)CO)I)C(=O)NC(CO)CO)I)O
    InChIKey
    XQZXYNRDCRIARQ-LURJTMIESA-N
    InChI
    1S/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,show more
    Synonyms
    iopamidol|60166-93-0|Iopamiron|Isovue|Iopamiro|Niopam|Solutrast|iomapidol|Gastromiro|Iopamidol 300|Iopamidolum|Oypalo...
  6. Iopentol
    CAS: 89797-00-2 Formula: C20H28I3N3O9 Molecular Weight: 835.16
    ◐ .Made to order · 8–12 wks Item #: I340599
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    IUPAC Name
    5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
    SMILES
    CC(=O)N(CC(COC)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
    InChIKey
    IUNJANQVIJDFTQ-UHFFFAOYSA-N
    InChI
    1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(Hshow more
    Synonyms
    1,3-Benzenedicarboxamide, 5-(acetyl(2-hydroxy-3-methoxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo- | I...
  7. Iopromide, Diagnostic agent
    CAS: 73334-07-3 EC Number: 277-385-9 Formula: C18H24I3N3O8 Molecular Weight: 791.11
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: I425729
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    IUPAC Name
    1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-[(2-methoxyacetyl)amino]-3-N-methylbenzene-1,3-dicarboxamide
    SMILES
    CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)NC(=O)COC)I
    InChIKey
    DGAIEPBNLOQYER-UHFFFAOYSA-N
    InChI
    1S/C18H24I3N3O8/c1-24(4-9(28)6-26)18(31)12-13(19)11(17(30)22-3-8(27)5-25)14(20)16(15(12)21)23-10(29)7-32-2/h8-9,25-28H,3-7H2,1-2H3,(H,22,30)(H,23,29)
    Synonyms
    AKOS025402129 | IOPROMIDE [WHO-DD] | 1,3-Benzenedicarboxamide, N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-5-((methox...
  8. Irinotecan (CPT-11), Inhibitor of DNA topoisomerase I
    CAS: 97682-44-5 EC Number: 691-567-9 Formula: C33H38N4O6 Molecular Weight: 586.68
    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 #: I408152
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    Synonyms
    (+)-Irinotecan | (4S)​-​4,​11-​diethyl-​3,​4,​12,​14-​tetrahydro-​4-​hydroxy-​3,​14-​dioxo-​1H-​pyrano[3',​4':6,​7]​i...
  9. Irinotecan (CPT-11) HCl Trihydrate, DNA topoisomerase I inhibitor
    CAS: 136572-09-3 EC Number: 603-967-2 PubChem CID: 60837 Formula: C33H38N4O6·HCl·3H2O Molecular Weight: 677.18
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: I408334
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    Synonyms
    [1,​4'-​Bipiperidine]​-​1'-​carboxylic acid, (4S)​-​4,​11-​diethyl-​3,​4,​12,​14-​tetrahydro-​4-​hydroxy-​3,​14-​dioxo-...
  10. Iproniazid, Monoamine oxidase inhibitor
    CAS: 54-92-2 EC Number: 200-218-8 Formula: C9H13N3O Molecular Weight: 179.22
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: I424684
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    IUPAC Name
    N'-propan-2-ylpyridine-4-carbohydrazide
    SMILES
    CC(C)NNC(=O)C1=CC=NC=C1
    InChIKey
    NYMGNSNKLVNMIA-UHFFFAOYSA-N
    InChI
    1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
    Synonyms
    Q421368 | SPBio_001992 | A870318 | Iproniazida | KBioGR_000951 | CHEBI:5958 | HY-B0886A | Iproniazidum | Iproniazidum...
  11. Iproniazid phosphate
    CAS: 305-33-9 EC Number: 206-164-1 Formula: C9H16N3O5P Molecular Weight: 277.21
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: I423163
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    IUPAC Name
    phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide
    SMILES
    CC(C)NNC(=O)C1=CC=NC=C1.OP(=O)(O)O
    InChIKey
    YPDVTKJXVHYWFY-UHFFFAOYSA-N
    InChI
    1S/C9H13N3O.H3O4P/c1-7(2)11-12-9(13)8-3-5-10-6-4-8;1-5(2,3)4/h3-7,11H,1-2H3,(H,12,13);(H3,1,2,3,4)
    Synonyms
    Iproniazid phosphate|305-33-9|Iproniazide phosphate|N'-Isopropylisonicotinohydrazide phosphate|Isoproniazid phosphate...
  12. Irinotecan hydrochloride
    CAS: 100286-90-6 EC Number: 600-054-0 Formula: C33H38N4O6 · HCl Molecular Weight: 623.14
    Liquid 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 #: I420259
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    Technical Identifiers
    IUPAC Name
    [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-pshow more
    SMILES
    CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.Cl
    InChIKey
    GURKHSYORGJETM-WAQYZQTGSA-N
    InChI
    1S/C33H38N4O6.ClH/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(show more
    Synonyms
    Irinotecan hydrochloride|100286-90-6|Irinotecan Hcl|Topotecin|Campto|Camptothecin 11 hydrochloride|Camptosar|CPT 11|C...
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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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