Targets & Pathways

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).

136,943 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

2,815

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. Toloxatone, Monoamine oxidase A inhibitor
    CAS: 29218-27-7 PubChem CID: 34521 Formula: C11H13NO3 Molecular Weight: 207.23
    ● In Stock — US warehouse, ships to EU* Item #: T346772
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    Technical Identifiers
    IUPAC Name
    5-(hydroxymethyl)-3-(3-methylphenyl)-1,3-oxazolidin-2-one
    SMILES
    CC1=CC(=CC=C1)N2CC(OC2=O)CO
    InChIKey
    MXUNKHLAEDCYJL-UHFFFAOYSA-N
    InChI
    1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
    Synonyms
    (+/-)-5-(HYDROXYMETHYL)-3-M-TOLYL-2-OXAZOLIDINONE | 2-oxazolidinone, 5-(hydroxymethyl)-3-(3-methylphenyl)- | TOLOXATO...
  2. Tolperisone hydrochloride
    CAS: 3644-61-9 EC Number: 222-876-5 Formula: C16H23NO·HCl Molecular Weight: 281.82
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: T423633
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    IUPAC Name
    2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride
    SMILES
    CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.Cl
    InChIKey
    ZBUVYROEHQQAKL-UHFFFAOYSA-N
    InChI
    1S/C16H23NO.ClH/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17;/h6-9,14H,3-5,10-12H2,1-2H3;1H
    Synonyms
    H12066 | 2-Methyl-3-piperidino-1-p-tolylpropan-1-one hydrochloride | NAISMERITIN | Tolperisone hydrochloride [JAN] | ...
  3. Torin 2, Inhibitor of mechanistic target of rapamycin kinase;Inhibitor of phosphatidylinositol 3-kinase catalytic subunit type 3;Inhibitor of phosphatidylinositol-4;5-bisphosphate 3-kinase catalytic subunit delta;Inhibitor of phosphatidylinositol 4-kinase beta;Inh
    CAS: 1223001-51-1 EC Number: 160-808-5 PubChem CID: 51358113 Formula: C24H15F3N4O Molecular Weight: 432.4
    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
    ◐ .Made to order · 8–12 wks Item #: T408205
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    Synonyms
    Benzo[h]-1,6-naphthyridin-2(1H)-one, 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-
  4. Torkinib (PP242), Inhibitor of mechanistic target of rapamycin kinase;Inhibitor of PAS domain containing serine/threonine kinase
    CAS: 1092351-67-1 Formula: C16H16N6O Molecular Weight: 308.34
    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 #: T409136
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    Synonyms
    2-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol
  5. Tos-PEG1-CH2-Boc
    CAS: 1643957-24-7 Formula: C15H22O6S Molecular Weight: 330.4
    ◐ .Made to order · 8–12 wks Item #: T412734
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    Technical Identifiers
    IUPAC Name
    tert-butyl 2-[2-(4-methylphenyl)sulfonyloxyethoxy]acetate
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)OCCOCC(=O)OC(C)(C)C
    InChIKey
    ASBZYPKOIDXKMT-UHFFFAOYSA-N
    InChI
    1S/C15H22O6S/c1-12-5-7-13(8-6-12)22(17,18)20-10-9-19-11-14(16)21-15(2,3)4/h5-8H,9-11H2,1-4H3
  6. Tos-PEG3
    CAS: 77544-68-4 PubChem CID: 10913735 Formula: C13H20O6S Molecular Weight: 304.36
    ● In Stock — US warehouse, ships to EU* Item #: T412706
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    IUPAC Name
    2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-methylbenzenesulfonate
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCO
    InChIKey
    RSUCRUOTLCQWFX-UHFFFAOYSA-N
    InChI
    1S/C13H20O6S/c1-12-2-4-13(5-3-12)20(15,16)19-11-10-18-9-8-17-7-6-14/h2-5,14H,6-11H2,1H3
    Synonyms
    MFCD18433414 | 8-tosyloxy-3,6-dioxaoctanol | DS-7505 | PEG4-Tos | 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-methylbenzenes...
  7. Tos-PEG4-CH2-Boc
    CAS: 169751-73-9 PubChem CID: 77078235 Formula: C21H34O9S Molecular Weight: 462.55
    ● In Stock — US warehouse, ships to EU* Item #: T412732
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    IUPAC Name
    tert-butyl 2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]acetate
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCC(=O)OC(C)(C)C
    InChIKey
    CZZJVKUJUYLGPU-UHFFFAOYSA-N
    InChI
    1S/C21H34O9S/c1-18-5-7-19(8-6-18)31(23,24)29-16-15-27-12-11-25-9-10-26-13-14-28-17-20(22)30-21(2,3)4/h5-8H,9-17H2,1-4H3
  8. Topiramate, Sodium channel alpha subunit blocker
    CAS: 97240-79-4 EC Number: 619-263-3 PubChem CID: 5284627 Formula: C12H21NO8S Molecular Weight: 339.36
    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 #: T409165
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    Synonyms
    MCN 4853, RWJ 17021 | β-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-, 1-sulfamate
  9. Topotecan (NSC609699) HCl, DNA topoisomerase I, mitochondrial inhibitor
    CAS: 119413-54-6 Formula: C23H24ClN3O5 Molecular Weight: 457.91
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: T408666
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    Synonyms
    Nogitecan HCl, SKFS 104864A | (4S)​-10-​[(dimethylamino)​methyl]​-​4-​ethyl-​4,​9-​dihydroxy-​1H-​pyrano[3',​4':6,​7]�...
  10. Tracheloside
    CAS: 33464-71-0 PubChem CID: 169511 Formula: C27H34O12 Molecular Weight: 550.55
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: T423447
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    Technical Identifiers
    IUPAC Name
    (3S,4S)-4-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-3-[[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolashow more
    SMILES
    COC1=C(C=C(C=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)O)OC
    InChIKey
    LWYAMIUSVGPFKS-CGLYQLBNSA-N
    InChI
    1S/C27H34O12/c1-34-17-6-4-14(9-19(17)35-2)8-16-13-37-26(32)27(16,33)11-15-5-7-18(20(10-15)36-3)38-25-24(31)23(30)22(29)21(12-28)39-25/h4-7,9-10,16,21-show more
    Synonyms
    MFCD00870631 | s3284 | DTXSID30955094 | Tracheloside | 2(3H)-FURANONE, 4-((3,4-DIMETHOXYPHENYL)METHYL)-3-((4-(.BETA.-...
  11. Trandolaprilat Monohydrate
    CAS: 951393-55-8 PubChem CID: 45040562 Formula: C22H32N2O6 Molecular Weight: 420.5
    ◐ .Made to order · 8–12 wks Item #: T351486
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    Technical Identifiers
    IUPAC Name
    (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid;hydrate
    SMILES
    CC(C(=O)N1C2CCCCC2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O.O
    InChIKey
    RCVUTQVXMHPLKS-CNTNIUBLSA-N
    InChI
    1S/C22H30N2O5.H2O/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29;/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,show more
    Synonyms
    Trandolaprilat Monohydrate | HY-A0116A | (2S,3aR,7aS)-1-[(2S)-2-[[(1S)-1-Carboxy-3-phenylpropyl]amino]-1-oxopropyl]oc...
  12. Tos-PEG5-CH2COOtBu
    CAS: 1949793-62-7 PubChem CID: 121396727 Formula: C23H38O10S Molecular Weight: 506.6
    ◐ .Made to order · 8–12 wks Item #: T412724
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    Technical Identifiers
    IUPAC Name
    tert-butyl 2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
    SMILES
    CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOCC(=O)OC(C)(C)C
    InChIKey
    SURYEYDXOMEIFQ-UHFFFAOYSA-N
    InChI
    1S/C23H38O10S/c1-20-5-7-21(8-6-20)34(25,26)32-18-17-30-14-13-28-10-9-27-11-12-29-15-16-31-19-22(24)33-23(2,3)4/h5-8H,9-19H2,1-4H3
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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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