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. Epsilon-momfluorothrin
    CAS: 1065124-65-3 PubChem CID: 25015075 Formula: C19H19F4NO3 Molecular Weight: 385.35
    ◐ Made to order · 8–12 wks Item #: E651309
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    IUPAC Name
    [2,3,5,6-tetrafluoro-4-(methoxymethyl)phenyl]methyl (1R,3R)-3-[(Z)-2-cyanoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
    SMILES
    CC(=CC1C(C1(C)C)C(=O)OCC2=C(C(=C(C(=C2F)F)COC)F)F)C#N
    InChIKey
    DPJITPZADZSLBP-DQXQJKBJSA-N
    InChI
    1S/C19H19F4NO3/c1-9(6-24)5-12-13(19(12,2)3)18(25)27-8-11-16(22)14(20)10(7-26-4)15(21)17(11)23/h5,12-13H,7-8H2,1-4H3/b9-5-/t12-,13+/m1/s1
    Synonyms
    Cyclopropanecarboxylic acid, 3-((1Z)-2-cyano-1-propen-1-yl)-2,2-dimethyl-, (2,3,5,6-tetrafluoro-4-(methoxymethyl)phen...
  2. Locustatachykinin I
    CAS: 126985-97-5 PubChem CID: 195503 Formula: C43H63N13O11 Molecular Weight: 938.05
    ◐ Made to order · 8–12 wks Item #: L651317
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    IUPAC Name
    (2S)-1-(2-aminoacetyl)-N-[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobshow more
    SMILES
    CC(C)C(C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C(CO)NC(=O)C3CCCN3C(=O)CN
    InChIKey
    QVHUTTNZGVKOKQ-LINCNNNZSA-N
    InChI
    1S/C43H63N13O11/c1-24(2)36(42(67)52-28(37(45)62)10-6-16-48-43(46)47)55-34(60)22-49-38(63)29(19-26-12-14-27(58)15-13-26)53-40(65)30(18-25-8-4-3-5-9-25)show more
    Synonyms
    Gpsgfygvr-nh2|Locustatachykinin I Protein, Locusta Migratoria|LocustatachykininI|GPSGFYGVR|Lom-TK-I protein, Locusta ...
  3. Tubulysin A
    CAS: 205304-86-5 PubChem CID: 12134544 Formula: C43H65N5O10S Molecular Weight: 844.07
    ◐ Made to order · 8–12 wks Item #: T651245
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    IUPAC Name
    (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[3-methylbutanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]aminshow more
    SMILES
    CCC(C)C(C(=O)N(COC(=O)CC(C)C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=C(C=C2)O)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C
    InChIKey
    IBEDDHUHZBDXGB-OEJISELMSA-N
    InChI
    1S/C43H65N5O10S/c1-10-27(6)38(46-40(53)34-13-11-12-18-47(34)9)42(54)48(24-57-37(51)19-25(2)3)35(26(4)5)22-36(58-29(8)49)41-45-33(23-59-41)39(52)44-31(show more
    Synonyms
    (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[3-methylbutanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidin...
  4. Febuxostat-d9
    CAS: 1246819-50-0 Formula: C16H7D9N2O3S Molecular Weight: 325.43
    ◐ Made to order · 8–12 wks Item #: F651268
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    IUPAC Name
    2-[3-cyano-4-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
    SMILES
    CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O
    InChIKey
    BQSJTQLCZDPROO-KIROAFHOSA-N
    InChI
    1S/C16H16N2O3S/c1-9(2)8-21-13-5-4-11(6-12(13)7-17)15-18-10(3)14(22-15)16(19)20/h4-6,9H,8H2,1-3H3,(H,19,20)/i1D3,2D3,8D2,9D
    Synonyms
    2-(3-Cyano-4-{[2-(~2~H_3_)methyl(~2~H_6_)propyl]oxy}phenyl)-4-methyl-1,3-thiazole-5-carboxylic acid|2-[3-cyano-4-[1,1...
  5. Navocaftor, Cystic fibrosis transmembrane conductance regulator positive modulator
    CAS: 2159103-66-7 PubChem CID: 132189640 Formula: C15H11F3N4O5S Molecular Weight: 416.33
    ◐ Made to order · 8–12 wks Item #: N651324
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    IUPAC Name
    [5-[3-amino-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-2-yl]-1,3,4-oxadiazol-2-yl]methanol
    SMILES
    C1=CC(=CC=C1OC(F)(F)F)S(=O)(=O)C2=CC(=C(N=C2)C3=NN=C(O3)CO)N
    InChIKey
    WOXOLLSAICIZNO-UHFFFAOYSA-N
    InChI
    1S/C15H11F3N4O5S/c16-15(17,18)27-8-1-3-9(4-2-8)28(24,25)10-5-11(19)13(20-6-10)14-22-21-12(7-23)26-14/h1-6,23H,7,19H2
    Synonyms
    Navocaftor|Navocaftor [USAN:INN]|[5-[3-amino-5-[4-(trifluoromethoxy)phenyl]sulfonylpyridin-2-yl]-1,3,4-oxadiazol-2-yl...
  6. PSI-7409 tetrasodium
    CAS: 1621884-22-7 PubChem CID: 146673025 Formula: C10H12FN2Na4O14P3 Molecular Weight: 588.09
    ◐ Made to order · 8–12 wks Item #: P651191
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    IUPAC Name
    tetrasodium;[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
    SMILES
    CC1(C(C(OC1N2C=CC(=O)NC2=O)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O)F.[Na+].[Na+].[Na+].[Na+]
    InChIKey
    MEVRFPOAFPAGDY-DLULJLDFSA-J
    InChI
    1S/C10H16FN2O14P3.4Na/c1-10(11)7(15)5(25-8(10)13-3-2-6(14)12-9(13)16)4-24-29(20,21)27-30(22,23)26-28(17,18)19;;;;/h2-3,5,7-8,15H,4H2,1H3,(H,20,21)(H,2show more
  7. PF-4618433
    CAS: 1166393-85-6 PubChem CID: 25203958 Formula: C24H27N7O2 Molecular Weight: 445.52
    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 #: P651173
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    IUPAC Name
    1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[5-(pyridin-3-yloxymethyl)-1H-pyrazol-3-yl]urea
    SMILES
    CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=NNC(=C3)COC4=CN=CC=C4
    InChIKey
    NJARPUHZDSAXPL-UHFFFAOYSA-N
    InChI
    1S/C24H27N7O2/c1-16-7-9-18(10-8-16)31-22(13-20(30-31)24(2,3)4)27-23(32)26-21-12-17(28-29-21)15-33-19-6-5-11-25-14-19/h5-14H,15H2,1-4H3,(H3,26,27,28,29show more
  8. 3α-Hydroxymogrol
    CAS: 1343402-73-2 PubChem CID: 54597624 Formula: C30H52O4 Molecular Weight: 476.73
    ◐ Made to order · 8–12 wks Item #: H651170
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    IUPAC Name
    (3R,8S,9R,10R,11R,13R,14S,17R)-17-[(2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopentshow more
    SMILES
    CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC(C3(C2CC=C4C3CCC(C4(C)C)O)C)O)C)C
    InChIKey
    JLYBBRAAICDTIS-HYBNOKSXSA-N
    InChI
    1S/C30H52O4/c1-18(9-13-24(32)27(4,5)34)19-15-16-28(6)22-12-10-20-21(11-14-23(31)26(20,2)3)30(22,8)25(33)17-29(19,28)7/h10,18-19,21-25,31-34H,9,11-17H2show more
  9. Peptide 74
    CAS: 132116-39-3 PubChem CID: 164323 Formula: C62H107N23O20S2 Molecular Weight: 1558.79
    ◐ Made to order · 8–12 wks Item #: P651134
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    IUPAC Name
    (2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-show more
    SMILES
    CC(C)C(C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CS)NC(=O)C(CCCN=C(N)N)NC(=O)C2CCCN2C(=O)C(CCCCN)NC(show more
    InChIKey
    DAZBILQQVFBVPE-XKKUQSFHSA-N
    InChI
    1S/C62H107N23O20S2/c1-29(2)47(57(101)74-30(3)48(92)81-38(60(104)105)25-43(65)88)83-53(97)36(26-45(90)91)80-55(99)41-16-11-22-85(41)59(103)37(24-42(64)show more
    Synonyms
    Peptide 74|H-Thr-Met-Arg-Lys-Pro-Arg-Cys-Gly-Asn-Pro-Asp-Val-Ala-Asn-OH|Threonyl-methionyl-arginyl-lysyl-prolyl-argin...
  10. FK614, Peroxisome proliferator-activated receptor gamma modulator
    CAS: 193012-35-0 PubChem CID: 9869229 Formula: C21H23Cl2N3O3S Molecular Weight: 468.40
    ● In Stock — US warehouse, ships to EU* Item #: F651223
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    IUPAC Name
    3-[(2,4-dichlorophenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide
    SMILES
    CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)Cl)Cl)C
    InChIKey
    UYGZODVVDUIDDQ-UHFFFAOYSA-N
    InChI
    1S/C21H23Cl2N3O3S/c1-3-4-5-10-30(28,29)25-21(27)15-7-9-19-20(11-15)26(14(2)24-19)13-16-6-8-17(22)12-18(16)23/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,25,27)
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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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