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. VRK-IN-1
    CAS: 2378855-09-3 PubChem CID: 155511407 Formula: C18H11F4NO2 Molecular Weight: 349.28
    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%
    ● In Stock — US warehouse, ships to EU* Item #: V647791
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    Technical Identifiers
    IUPAC Name
    4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methylpyridin-3-yl]-2,6-difluorophenol
    SMILES
    CC1=C(C=C(C=N1)C2=CC(=C(C(=C2)F)O)F)C3=CC(=C(C(=C3)F)O)F
    InChIKey
    PMRGRXLXKYUDIH-UHFFFAOYSA-N
    InChI
    1S/C18H11F4NO2/c1-8-12(10-5-15(21)18(25)16(22)6-10)2-11(7-23-8)9-3-13(19)17(24)14(20)4-9/h2-7,24-25H,1H3
  2. Moracin O
    CAS: 123702-97-6 EC Number: 826-029-6 PubChem CID: 42604718 Formula: C19H18O5 Molecular Weight: 326.34
    ◐ Made to order · 8–12 wks Item #: M647781
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    IUPAC Name
    5-[(6R)-6-(2-hydroxypropan-2-yl)-5,6-dihydrofuro[3,2-f][1]benzofuran-2-yl]benzene-1,3-diol
    SMILES
    CC(C)(C1CC2=C(O1)C=C3C(=C2)C=C(O3)C4=CC(=CC(=C4)O)O)O
    InChIKey
    HMTMYIWMPJSCAZ-GOSISDBHSA-N
    InChI
    1S/C19H18O5/c1-19(2,22)18-7-11-3-10-6-15(23-16(10)9-17(11)24-18)12-4-13(20)8-14(21)5-12/h3-6,8-9,18,20-22H,7H2,1-2H3/t18-/m1/s1
    Synonyms
    1,3-Benzenediol, 5-[(6R)-5,6-dihydro-6-(1-hydroxy-1-methylethyl)benzo[1,2-b:5,4-b']difuran-2-yl]-|MoracinO|5-[(6R)-6-...
  3. Tarloxotinib bromide
    CAS: 1636180-98-7 PubChem CID: 51038315 Formula: C24H24Br2ClN9O3 Molecular Weight: 681.77
    ◐ Made to order · 8–12 wks Item #: T647912
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    IUPAC Name
    [(E)-4-[[4-(3-bromo-4-chloroanilino)pyrido[3,4-d]pyrimidin-6-yl]amino]-4-oxobut-2-enyl]-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium;bromidshow more
    SMILES
    CN1C=NC(=C1C[N+](C)(C)CC=CC(=O)NC2=NC=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)Cl)Br)[N+](=O)[O-].[Br-]
    InChIKey
    WAKIMVYUBWMMHJ-FXRZFVDSSA-N
    InChI
    1S/C24H23BrClN9O3.BrH/c1-33-14-30-24(34(37)38)20(33)12-35(2,3)8-4-5-22(36)32-21-10-16-19(11-27-21)28-13-29-23(16)31-15-6-7-18(26)17(25)9-15;/h4-7,9-11show more
    Synonyms
    Tarloxotinib bromide [INN]|Tarloxotinib (bromide)|1H-Imidazole-5-methanaminium, N-((2E)-4-((4-((3-bromo-4-chloropheny...
  4. BMS-984923
    CAS: 1375752-78-5 PubChem CID: 69084898 Formula: C22H15ClN2O2 Molecular Weight: 374.82
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
    ● In Stock — US warehouse, ships to EU* Item #: B647879
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  5. (Rac)-MEM 1003
    CAS: 165187-25-7 PubChem CID: 9802887 Formula: C22H25ClN2O5 Molecular Weight: 432.90
    ◐ Made to order · 8–12 wks Item #: M647882
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    IUPAC Name
    3-O-(2-methoxyethyl) 5-O-propan-2-yl 4-(2-chloro-3-cyanophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
    SMILES
    CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC(=C2Cl)C#N)C(=O)OCCOC
    InChIKey
    GTIKSQYSAKETQA-UHFFFAOYSA-N
    InChI
    1S/C22H25ClN2O5/c1-12(2)30-22(27)18-14(4)25-13(3)17(21(26)29-10-9-28-5)19(18)16-8-6-7-15(11-24)20(16)23/h6-8,12,19,25H,9-10H2,1-5H3
  6. Destruxin B
    CAS: 2503-26-6 PubChem CID: 11124817 Formula: C32H55N5O7 Molecular Weight: 621.81
    ◐ Made to order · 8–12 wks Item #: D647928
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    IUPAC Name
    (3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9show more
    SMILES
    CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)C)C)C(C)C)C
    InChIKey
    GNBHVMBELHWUIF-VTSYCQLTSA-N
    InChI
    1S/C30H51N5O7/c1-10-19(6)24-29(40)34(9)25(18(4)5)30(41)33(8)20(7)26(37)31-14-13-23(36)42-22(16-17(2)3)28(39)35-15-11-12-21(35)27(38)32-24/h17-22,24-25show more
    Synonyms
    (3R,10S,13S,16S,19S)-16-[(2S)-Butan-2-yl]-10,11,14-trimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pen...
  7. Gallopamil hydrochloride
    CAS: 16662-46-7 Formula: C28H41ClN2O5 Molecular Weight: 521.1
    Solid ≥98%
    ● In Stock — US warehouse, ships to EU* Item #: G647826
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    IUPAC Name
    5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile;hydrochloride
    SMILES
    CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C(=C2)OC)OC)OC.Cl
    InChIKey
    OKCRIUNHEQSXFD-UHFFFAOYSA-N
    InChI
    1S/C28H40N2O5.ClH/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5;/h10-11,16-18,20H,9,12-15H2,1show more
    Synonyms
    (+/-)-Methoxyverapamil HCl|.ALPHA.-ISOPROPYL-.ALPHA.-((N-METHYL-N-HOMOVERATRYL)-.GAMMA.-AMINOPROPYL)-3,4,5-TRIMETHOXY...
  8. FLT3-IN-2
    CAS: 923562-23-6 Formula: C21H16ClF3N4 Molecular Weight: 416.83
    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 #: F647810
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    IUPAC Name
    5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
    SMILES
    C1=CC(=CC=C1CNC2=NC=C(C=C2)CC3=CNC4=C3C=C(C=N4)Cl)C(F)(F)F
    InChIKey
    MFXPJGJSKHZZGC-UHFFFAOYSA-N
    InChI
    1S/C21H16ClF3N4/c22-17-8-18-15(11-28-20(18)29-12-17)7-14-3-6-19(27-10-14)26-9-13-1-4-16(5-2-13)21(23,24)25/h1-6,8,10-12H,7,9H2,(H,26,27)(H,28,29)
  9. BETd-260
    CAS: 2093388-62-4 PubChem CID: 131698639 Formula: C43H46N10O6 Molecular Weight: 798.89
    ◐ Made to order · 8–12 wks Item #: B647811
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    IUPAC Name
    4-[(5-cyclopropyl-2-ethylpyrazol-3-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentyl]-6-methoshow more
    SMILES
    CCN1C(=CC(=N1)C2CC2)NC3=NC(=NC4=C3C5=CC(=C(C=C5N4)C6=C(ON=C6C)C)OC)C(=O)NCCCCCC7=C8CN(C(=O)C8=CC=C7)C9CCC(=O)NC9=O
    InChIKey
    UZXANFBIRSYHGO-UHFFFAOYSA-N
    InChI
    1S/C43H46N10O6/c1-5-53-34(20-30(50-53)25-13-14-25)46-39-37-27-19-33(58-4)28(36-22(2)51-59-23(36)3)18-31(27)45-38(37)48-40(49-39)42(56)44-17-8-6-7-10-2show more
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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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