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. E-982
    CAS: 858102-78-0 Formula: C25H31NO6S Molecular Weight: 473.58
    ◐ Made to order · 8–12 wks Item #: E646137
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    Technical Identifiers
    SMILES
    OC(C=C1)=CC2=C1[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])C(SCCC(ON5C(CCC5=O)=O)=O)C2
  2. GSK256073
    CAS: 862892-90-8 EC Number: 629-897-2 PubChem CID: 46215799 Formula: C10H13ClN4O2 Molecular Weight: 256.69
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ◐ Made to order · 8–12 wks Item #: G646139
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    IUPAC Name
    8-chloro-3-pentyl-7H-purine-2,6-dione
    SMILES
    CCCCCN1C2=C(C(=O)NC1=O)NC(=N2)Cl
    InChIKey
    CGAMDQCXAAOFSR-UHFFFAOYSA-N
    InChI
    1S/C10H13ClN4O2/c1-2-3-4-5-15-7-6(12-9(11)13-7)8(16)14-10(15)17/h2-5H2,1H3,(H,12,13)(H,14,16,17)
    Synonyms
    GSK 256073|OKL|1H-Purine-2,6-dione, 8-chloro-3,9-dihydro-3-pentyl-|8-chloro-3-pentyl-2,3,6,7-tetrahydro-1H-purine-2,6...
  3. 9-Methoxycamptothecin
    CAS: 39026-92-1 PubChem CID: 123617 Formula: C21H18N2O5 Molecular Weight: 378.38
    ◐ Made to order · 8–12 wks Item #: M646138
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    IUPAC Name
    (19S)-19-ethyl-19-hydroxy-8-methoxy-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)-heptaene-14,18-dione
    SMILES
    CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5OC)N=C4C3=C2)O
    InChIKey
    XVMZDZFTCKLZTF-NRFANRHFSA-N
    InChI
    1S/C21H18N2O5/c1-3-21(26)14-8-16-18-11(7-12-15(22-18)5-4-6-17(12)27-2)9-23(16)19(24)13(14)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1
    Synonyms
    1H-Pyrano[3',7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione-, 4-ethyl-4-hydroxy-10-methoxy-, (S)-|Camptothecin, 9-me...
  4. Vicenin-1
    CAS: 35927-38-9 PubChem CID: 13644663 Formula: C26H28O14 Molecular Weight: 564.49
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ◐ Made to order · 8–12 wks Item #: V646161
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    IUPAC Name
    5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]chromen-show more
    SMILES
    C1C(C(C(C(O1)C2=C(C(=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C5C(C(C(C(O5)CO)O)O)O)O)O)O)O
    InChIKey
    OVMFOVNOXASTPA-MCIQUCDDSA-N
    InChI
    1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,show more
    Synonyms
    Vicenin-1|5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3...
  5. SHP2-IN-6 hydrochloride
    CAS: 2169223-49-6 Formula: C22H27ClF2N6O2S Molecular Weight: 513.00
    ◐ Made to order · 8–12 wks Item #: S646160
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    SMILES
    CC(N1CC(F)(F)C2=C1C=CC=C2SC3=NC=C(N(CC4)CCC54[C@H](N)COC5)N=C3N)=O.[H]Cl
  6. SHP394
    CAS: 2055757-40-7 PubChem CID: 124150499 Formula: C20H25F3N6O2S Molecular Weight: 470.51
    ◐ Made to order · 8–12 wks Item #: S646238
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    IUPAC Name
    6-amino-2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-methyl-5-[2-(trifluoromethyl)pyridin-3-yl]sulfanylpyrimidin-4-one
    SMILES
    CC1C(C2(CCN(CC2)C3=NC(=C(C(=O)N3C)SC4=C(N=CC=C4)C(F)(F)F)N)CO1)N
    InChIKey
    QZHZIDHAIVAHMD-SMDDNHRTSA-N
    InChI
    1S/C20H25F3N6O2S/c1-11-14(24)19(10-31-11)5-8-29(9-6-19)18-27-16(25)13(17(30)28(18)2)32-12-4-3-7-26-15(12)20(21,22)23/h3-4,7,11,14H,5-6,8-10,24-25H2,1-show more
  7. AMG2850
    CAS: 1470018-52-0 PubChem CID: 90655362 Formula: C19H17F6N3O Molecular Weight: 417.35
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ◐ Made to order · 8–12 wks Item #: A646173
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    IUPAC Name
    (8R)-8-[4-(trifluoromethyl)phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-6,8-dihydro-5H-1,7-naphthyridine-7-carboxamide
    SMILES
    CC(C(F)(F)F)NC(=O)N1CCC2=C(C1C3=CC=C(C=C3)C(F)(F)F)N=CC=C2
    InChIKey
    DDBWYSSPWMXBIY-MEDUHNTESA-N
    InChI
    1S/C19H17F6N3O/c1-11(18(20,21)22)27-17(29)28-10-8-12-3-2-9-26-15(12)16(28)13-4-6-14(7-5-13)19(23,24)25/h2-7,9,11,16H,8,10H2,1H3,(H,27,29)/t11-,16+/m0/show more
    Synonyms
    (R)-8-(4-(Trifluoromethyl)phenyl)-N-((S)-1,1,1-trifluoropropan-2-yl)-5,8-dihydro-1,7-naphthyridine-7(6H)-carboxamide
  8. THK5351, Diagnostic
    CAS: 1707147-26-9 PubChem CID: 91936858 Formula: C18H18FN3O2 Molecular Weight: 327.35
    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 #: T646216
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    IUPAC Name
    (2S)-1-fluoro-3-[2-[6-(methylamino)pyridin-3-yl]quinolin-6-yl]oxypropan-2-ol
    SMILES
    CNC1=NC=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)OCC(CF)O
    InChIKey
    DLVXFZWSPCOWSN-CQSZACIVSA-N
    InChI
    1S/C18H18FN3O2/c1-20-18-7-3-13(10-21-18)17-5-2-12-8-15(4-6-16(12)22-17)24-11-14(23)9-19/h2-8,10,14,23H,9,11H2,1H3,(H,20,21)/t14-/m1/s1
    Synonyms
    2-(6-Methylaminopyridine-3-yl)-6-((S)-3-fluoro-2-hydroxy-propyloxy)quinoline|2-Propanol, 1-fluoro-3-((2-(6-(methylami...
  9. AVN-944, Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor
    CAS: 297730-17-7 PubChem CID: 9918559 Formula: C25H27N5O5 Molecular Weight: 477.51
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ◐ Made to order · 8–12 wks Item #: A646297
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    IUPAC Name
    [(2R)-1-cyanobutan-2-yl] N-[(1S)-1-[3-[[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]carbamoylamino]phenyl]ethyl]carbamate
    SMILES
    CC[C@H](CC#N)OC(=O)N[C@@H](C)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C3=CN=CO3)OC
    InChIKey
    GYCPCOJTCINIFZ-OXJNMPFZSA-N
    InChI
    1S/C25H27N5O5/c1-4-20(10-11-26)35-25(32)28-16(2)17-6-5-7-18(12-17)29-24(31)30-19-8-9-21(22(13-19)33-3)23-14-27-15-34-23/h5-9,12-16,20H,4,10H2,1-3H3,(Hshow more
    Synonyms
    AVN-944|CARBAMIC ACID, N-((1S)-1-(3-((((3-METHOXY-4-(5-OXAZOLYL)PHENYL)AMINO)CARBONYL)AMINO)PHENYL)ETHYL)-, (1R)-1-(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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