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).

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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 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 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. 1-Methylguanosine
    CAS: 2140-65-0 EC Number: 630-718-5 PubChem CID: 96373 Formula: C11H15N5O5 Molecular Weight: 297.27
    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%
    ● In Stock — US Item #: M303040
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    Technical Identifiers
    IUPAC Name
    2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
    SMILES
    CN1C(=O)C2=C(N=C1N)N(C=N2)C3C(C(C(O3)CO)O)O
    InChIKey
    UTAIYTHAJQNQDW-KQYNXXCUSA-N
    InChI
    1S/C11H15N5O5/c1-15-9(20)5-8(14-11(15)12)16(3-13-5)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14)/t4-,6-,7-,10-/m1/s1
    Synonyms
    AS-77299 | 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-6,9-dihydro-1H-purin-6-one |...
  2. 1-MethyliMidazoliuM sulfobutyrolactone
    CAS: 179863-07-1 PubChem CID: 102600817 Formula: C8H14N2O3S Molecular Weight: 218.27
    ● In Stock — US Item #: M305224
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    IUPAC Name
    butane-1-sulfonate;7-methyl-2-oxa-7-aza-5-azoniabicyclo[2.2.1]hepta-1(6),4-dien-3-one
    SMILES
    CCCCS(=O)(=O)[O-].CN1C2=C[NH+]=C1C(=O)O2
    InChIKey
    YASNZTRKWGDOMH-UHFFFAOYSA-N
    InChI
    1S/C5H4N2O2.C4H10O3S/c1-7-3-2-6-4(7)5(8)9-3;1-2-3-4-8(5,6)7/h2H,1H3;2-4H2,1H3,(H,5,6,7)
  3. 1-Methylindan
    CAS: 767-58-8 Formula: C10H12 Molecular Weight: 132.2
    ● In Stock — US Item #: M304586
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    Technical Identifiers
    IUPAC Name
    1-methyl-2,3-dihydro-1H-indene
    SMILES
    CC1CCC2=CC=CC=C12
    InChIKey
    FIPKSKMDTAQBDJ-UHFFFAOYSA-N
    InChI
    1S/C10H12/c1-8-6-7-9-4-2-3-5-10(8)9/h2-5,8H,6-7H2,1H3
    Synonyms
    1-Methylindan|767-58-8|1-methyl-2,3-dihydro-1H-indene|2,3-Dihydro-1-methyl-1H-indene|1-Methylindane|Indan, 1-methyl-|...
  4. 1-Methylinosine
    CAS: 2140-73-0 Formula: C11H14N4O5 Molecular Weight: 282.25
    ● In Stock — US Item #: M303043
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    Technical Identifiers
    IUPAC Name
    9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one
    SMILES
    CN1C=NC2=C(C1=O)N=CN2C3C(C(C(O3)CO)O)O
    InChIKey
    WJNGQIYEQLPJMN-IOSLPCCCSA-N
    InChI
    1S/C11H14N4O5/c1-14-3-13-9-6(10(14)19)12-4-15(9)11-8(18)7(17)5(2-16)20-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1
    Synonyms
    9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methylpurin-6-one | SCHEMBL19359092 | CHEBI:19065 | UN...
  5. 1-Methylpsilocin
    CAS: 1465-16-3 Formula: C13H18N2O Molecular Weight: 218.29
    ◐ .Made to order · 8–12 wks Item #: M286960
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    IUPAC Name
    3-[2-(dimethylamino)ethyl]-1-methylindol-4-ol
    SMILES
    CN1C=C(C2=C1C=CC=C2O)CCN(C)C
    InChIKey
    MZZRFEIDRWKTKJ-UHFFFAOYSA-N
    InChI
    1S/C13H18N2O/c1-14(2)8-7-10-9-15(3)11-5-4-6-12(16)13(10)11/h4-6,9,16H,7-8H2,1-3H3
    Synonyms
    1-METHYLPSILOCIN | SCHEMBL12558828 | UNII-65MKC68UST | 1H-Indol-4-ol, 3-[2-(dimethylamino)ethyl]-1-methyl- | BDBM5017...
  6. Landiolol-D4, Beta-1 adrenergic receptor antagonist
    CAS: 133242-30-5 Formula: C₂₅H₃₅D₄N₃O₈ Molecular Weight: 513.62
    ◐ .Made to order · 8–12 wks Item #: L353989
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    Technical Identifiers
    IUPAC Name
    [(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 3-[4-[(2S)-2-hydroxy-3-[2-(morpholine-4-carbonylamino)ethylamino]propoxy]phenyl]propanoate
    SMILES
    CC1(OCC(O1)COC(=O)CCC2=CC=C(C=C2)OCC(CNCCNC(=O)N3CCOCC3)O)C
    InChIKey
    WMDSZGFJQKSLLH-RBBKRZOGSA-N
    InChI
    1S/C25H39N3O8/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28/h3-4,6-7,20,22,26,29H,5,8-1show more
    Synonyms
    LANDIOLOL [WHO-DD] | Landiolol | Benzenepropanoic acid, 4-((2S)-2-hydroxy-3-((2-((4-morpholinylcarbonyl)amino)ethyl)a...
  7. Oseltamivir Acid
    CAS: 187227-45-8 Formula: C14H24N2O4 Molecular Weight: 284.35
    ● In Stock — US Item #: O340383
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    Technical Identifiers
    IUPAC Name
    (3R,4R,5S)-4-acetamido-5-amino-3-pentan-3-yloxycyclohexene-1-carboxylic acid
    SMILES
    CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)O
    InChIKey
    NENPYTRHICXVCS-YNEHKIRRSA-N
    InChI
    1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1
    Synonyms
    C90284 | SCHEMBL182903 | HY-129467 | Oseltamivir (acid) | Oseltamivir carboxylate | Oseltamivir Carboxylic Acid | (3R...
  8. 6-Methyl-indolo[1,2-c]quinazolin-12-ylamine
    CAS: 55338-12-0 EC Number: 101-564-1 Formula: C16H13N3 Molecular Weight: 247.29
    ● In Stock — US Item #: M349520
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    Technical Identifiers
    IUPAC Name
    6-methylindolo[1,2-c]quinazolin-12-amine
    SMILES
    CC1=NC2=CC=CC=C2C3=C(C4=CC=CC=C4N13)N
    InChIKey
    JXDDRDSPPIIJOQ-UHFFFAOYSA-N
    InChI
    1S/C16H13N3/c1-10-18-13-8-4-2-6-11(13)16-15(17)12-7-3-5-9-14(12)19(10)16/h2-9H,17H2,1H3
    Synonyms
    MLS001007332 | SMR000384556 | Oprea1_552113 | 6-Methyl-indolo[1,2-c]quinazolin-12-ylamine | HMS2665I15 | MFCD04623039...
  9. 1-Naphthyl PP1
    CAS: 221243-82-9 Formula: C19H19N5 Molecular Weight: 317.39
    ● In Stock — US Item #: N276477
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    IUPAC Name
    1-tert-butyl-3-naphthalen-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
    SMILES
    CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=CC4=CC=CC=C43)N
    InChIKey
    XSHQBIXMLULFEV-UHFFFAOYSA-N
    InChI
    1S/C19H19N5/c1-19(2,3)24-18-15(17(20)21-11-22-18)16(23-24)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,1-3H3,(H2,20,21,22)
    Synonyms
    1-t-butyl-3-naphthalen-1-yl-1h-pyrazolo[3,4-d]pyrimidin-4-ylamine | W-201916 | A13232 | AS-56537 | HB0066 | s2642 | 4...
  10. Ilimaquinone
    CAS: 71678-03-0 Formula: C22H30O4 Molecular Weight: 358.47
    ◐ .Made to order · 8–12 wks Item #: I275276
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    IUPAC Name
    3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-hydroxy-5-methoxycyclohexa-2,5-diene-1,4-dione
    SMILES
    CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)OC)O)CCCC2=C)C
    InChIKey
    JJWITJNSXCXULM-YVUMSICPSA-N
    InChI
    1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14,18,24H,1,6-10,12H2,2-5H3/t14-,18+,21+,22+/m0/s1
    Synonyms
    ILIMAQUINONE, (-)- | Q27138473 | 3-[(Decahydro-1beta,2beta,4alphabeta-trimethyl-5-methylene-1-naphthyl)methyl]-2-hydr...
  11. 14,15-Leukotriene E4
    CAS: 1000852-57-2 PubChem CID: 52921882 Formula: C23H37NO5S Molecular Weight: 439.61
    ≥97% 100μg/ml in methanol
    ● In Stock — US Item #: L275445
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    IUPAC Name
    (5Z,8Z,10E,12E,14R,15S)-14-[(2R)-2-amino-2-carboxyethyl]sulfanyl-15-hydroxyicosa-5,8,10,12-tetraenoic acid
    SMILES
    CCCCCC(C(C=CC=CC=CCC=CCCCC(=O)O)SCC(C(=O)O)N)O
    InChIKey
    JLJNENVYAVKECZ-HRXVJLLUSA-N
    InChI
    1S/C23H37NO5S/c1-2-3-12-15-20(25)21(30-18-19(24)23(28)29)16-13-10-8-6-4-5-7-9-11-14-17-22(26)27/h4,6-10,13,16,19-21,25H,2-3,5,11-12,14-15,17-18,24H2,1show more
    Synonyms
    (5Z,8Z,10E,12E,14R,15S)-14-[(2R)-2-Amino-2-carboxyethyl]sulfanyl-15-hydroxyicosa-5,8,10,12-tetraenoicacid | Eoxin-E4
  12. 1-O-octadecyl-2-O-methyl-sn-glycero-3-phosphocholine hydrate
    CAS: 77286-66-9 Formula: C27H58NO6P • XH2O Molecular Weight: 523.726(dry basis)
    ● In Stock — US Item #: O130832
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    Technical Identifiers
    IUPAC Name
    [(2R)-2-methoxy-3-octadecoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
    SMILES
    CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC
    InChIKey
    MHFRGQHAERHWKZ-HHHXNRCGSA-N
    InChI
    1S/C27H58NO6P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-32-25-27(31-5)26-34-35(29,30)33-24-22-28(2,3)4/h27H,6-26H2,1-5H3/t27-/m1/s1
    Synonyms
    1-Indanone, 5,6-dimethoxy-, | 1-O-Octadecyl-2-O-methyl-sn-glycero-3-phosphorylcholine | AKOS006221186 | LZ198HY9OE | ...
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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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