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. 7,13-Bis(4-nitrobenzyl)-1,4,10-trioxa-7,13-diazacyclopentadecane
    Formula: C24H32N4O7 Molecular Weight: 488.5
    ◐ Made to order · 8–12 wks Item #: B668870
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    Technical Identifiers
    IUPAC Name
    7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane
    SMILES
    C1COCCN(CCOCCOCCN1CC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=C(C=C3)[N+](=O)[O-]
    InChIKey
    UKMHVECLTZDSBD-UHFFFAOYSA-N
    InChI
    1S/C24H32N4O7/c29-27(30)23-5-1-21(2-6-23)19-25-9-13-33-14-10-26(12-16-35-18-17-34-15-11-25)20-22-3-7-24(8-4-22)28(31)32/h1-8H,9-20H2
    Synonyms
    VU590|7,13-bis[(4-nitrophenyl)methyl]-1,4,10-trioxa-7,13-diazacyclopentadecane|7,13-bis(4-nitrobenzyl)-1,4,10-trioxa-...
  2. 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline
    CAS: 61563-24-4 EC Number: 829-325-3 PubChem CID: 123920 Formula: C9H9Cl2N Molecular Weight: 202.08
    ◐ Made to order · 8–12 wks Item #: D668039
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    IUPAC Name
    7,8-dichloro-1,2,3,4-tetrahydroisoquinoline
    SMILES
    C1CNCC2=C1C=CC(=C2Cl)Cl
    InChIKey
    WFPUBEDBBOGGIQ-UHFFFAOYSA-N
    InChI
    1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
    Synonyms
    7,8-dichloro-1,2,3,4-tetrahydroisoquinoline|Isoquinoline, 7,8-dichloro-1,2,3,4-tetrahydro-|SKF 64139|SK&F 64139|SK&F-...
  3. BC-23
    CAS: 6298-15-3 Formula: C21H14ClN3O4S Molecular Weight: 439.87
    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 warehouse, ships to EU* Item #: C668187
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    Technical Identifiers
    IUPAC Name
    4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-N-pyridin-2-ylbenzenesulfonamide
    SMILES
    C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4
    InChIKey
    QRPKNPKHGNUFGK-UHFFFAOYSA-N
    InChI
    1S/C21H14ClN3O4S/c22-18-19(21(27)16-6-2-1-5-15(16)20(18)26)24-13-8-10-14(11-9-13)30(28,29)25-17-7-3-4-12-23-17/h1-12,24H,(H,23,25)
    Synonyms
    BC-23|4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-N-pyridin-2-ylbenzenesulfonamide|4-[(3-Chloro-1,4-dioxo-1,4-dihydr...
  4. 4-(3-(4-(Piperidinyl)but-1-ynyl)benzyl)morpholine
    CAS: 1188547-18-3 PubChem CID: 9944610 Formula: C20H28N2O Molecular Weight: 312.4
    ◐ Made to order · 8–12 wks Item #: P669046
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    IUPAC Name
    4-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]morpholine
    SMILES
    C1CCN(CC1)CCC#CC2=CC=CC(=C2)CN3CCOCC3
    InChIKey
    HDRIBIYPLKZUDQ-UHFFFAOYSA-N
    InChI
    1S/C20H28N2O/c1-3-10-21(11-4-1)12-5-2-7-19-8-6-9-20(17-19)18-22-13-15-23-16-14-22/h6,8-9,17H,1,3-5,10-16,18H2
    Synonyms
    JNJ-10181457|4-(3-(4-(Piperidinyl)but-1-ynyl)benzyl)morpholine|Morpholine, 4-((3-(4-(1-piperidinyl)-1-butynyl)phenyl)...
  5. 3,8'-Biapigenin
    CAS: 101140-06-1 PubChem CID: 10414856 Formula: C30H18O10 Molecular Weight: 538.5
    ◐ Made to order · 8–12 wks Item #: B669096
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    Technical Identifiers
    IUPAC Name
    3-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-8-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
    SMILES
    C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O
    InChIKey
    IQAMTZLKUHMPPE-UHFFFAOYSA-N
    InChI
    1S/C30H18O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,3show more
    Synonyms
    3,8'-Biapigenin|3,8''-biapigenin|biapigenin|13,Ii8-Biapigenin|Biapigenin; I3,II8-Biapigenin|3-[5,7-dihydroxy-2-(4-hyd...
  6. Mesuaxanthone A
    CAS: 3561-81-7 PubChem CID: 5281651 Formula: C14H10O5 Molecular Weight: 258.23
    ◐ Made to order · 8–12 wks Item #: M668898
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    IUPAC Name
    1,5-dihydroxy-3-methoxyxanthen-9-one
    SMILES
    COC1=CC(=C2C(=C1)OC3=C(C2=O)C=CC=C3O)O
    InChIKey
    IQIGECASJMDDMD-UHFFFAOYSA-N
    InChI
    1S/C14H10O5/c1-18-7-5-10(16)12-11(6-7)19-14-8(13(12)17)3-2-4-9(14)15/h2-6,15-16H,1H3
    Synonyms
    Mesuaxanthone A|1,5-Dihydroxy-3-methoxyxanthone|9H-Xanthen-9-one, 1,5-dihydroxy-3-methoxy-|1,5-Dihydroxy-3-methoxy-9H...
  7. Bunazosin, Adrenergic receptor alpha-1 antagonist
    CAS: 80755-51-7 Formula: C19H27N5O3 Molecular Weight: 373.45
    Solid ≥97%
    ◐ Made to order · 8–12 wks Item #: B667787
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    IUPAC Name
    1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one
    SMILES
    CCCC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC
    InChIKey
    RHLJLALHBZGAFM-UHFFFAOYSA-N
    InChI
    1S/C19H27N5O3/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19/h11-12H,4-10H2,1-3H3,(H2,20,21,22)
    Synonyms
    Bunazosin|Bunazosin [INN]|1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one|1-(4-(4-Amino-6,7...
  8. Acetophenazine
    CAS: 2751-68-0 PubChem CID: 17676 Formula: C23H29N3O2S Molecular Weight: 411.6
    ◐ Made to order · 8–12 wks Item #: A667856
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    IUPAC Name
    1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone
    SMILES
    CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO
    InChIKey
    WNTYBHLDCKXEOT-UHFFFAOYSA-N
    InChI
    1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3
    Synonyms
    ACETOPHENAZINE|Acetophenazinum|Acetophenazine [INN]|1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-...
  9. Abanoquil
    CAS: 90402-40-7 PubChem CID: 164089 Formula: C22H25N3O4 Molecular Weight: 395.5
    ◐ Made to order · 8–12 wks Item #: A668104
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    Technical Identifiers
    IUPAC Name
    2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinolin-4-amine
    SMILES
    COC1=C(C=C2CN(CCC2=C1)C3=NC4=CC(=C(C=C4C(=C3)N)OC)OC)OC
    InChIKey
    ANZIISNSHPKVRV-UHFFFAOYSA-N
    InChI
    1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
    Synonyms
    Abanoquil|2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1h)-yl)-6,7-dimethoxyquinolin-4-amine|UK 52046|Abanoquil [INN:BAN...
  10. Besipirdine
    CAS: 119257-34-0 PubChem CID: 60691 Formula: C16H17N3 Molecular Weight: 251.33
    ◐ Made to order · 8–12 wks Item #: B667920
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    Technical Identifiers
    IUPAC Name
    N-propyl-N-pyridin-4-ylindol-1-amine
    SMILES
    CCCN(C1=CC=NC=C1)N2C=CC3=CC=CC=C32
    InChIKey
    OTPPJICEBWOCKD-UHFFFAOYSA-N
    InChI
    1S/C16H17N3/c1-2-12-18(15-7-10-17-11-8-15)19-13-9-14-5-3-4-6-16(14)19/h3-11,13H,2,12H2,1H3
    Synonyms
    Besipirdine|Besipirdine [INN]|N-propyl-N-pyridin-4-ylindol-1-amine|N-propyl-N-(pyridin-4-yl)-1H-indol-1-amine|1-(prop...
  11. 1-(1-Naphthylsulfonyl)-6-(octahydropyrrolo[1,2-a]pyrazine-2-yl)-1H-indole
    Formula: C25H25N3O2S Molecular Weight: 431.6
    ◐ Made to order · 8–12 wks Item #: N669039
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    Technical Identifiers
    IUPAC Name
    2-(1-naphthalen-1-ylsulfonylindol-6-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
    SMILES
    C1CC2CN(CCN2C1)C3=CC4=C(C=C3)C=CN4S(=O)(=O)C5=CC=CC6=CC=CC=C65
    InChIKey
    XNELKPKYCQGGFW-UHFFFAOYSA-N
    InChI
    1S/C25H25N3O2S/c29-31(30,25-9-3-6-19-5-1-2-8-23(19)25)28-14-12-20-10-11-21(17-24(20)28)27-16-15-26-13-4-7-22(26)18-27/h1-3,5-6,8-12,14,17,22H,4,7,13,1show more
    Synonyms
    NPS ALX Compound 4a|2-[1-(Naphthalene-1-sulfonyl)-1H-indol-6-yl]-octahydro-pyrrolo[1,2-a]pyrazine
  12. Edotreotide
    CAS: 204318-14-9 PubChem CID: 158782 Formula: C65H92N14O18S2 Molecular Weight: 1421.6
    ◐ Made to order · 8–12 wks Item #: E668096
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    Technical Identifiers
    IUPAC Name
    2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenshow more
    SMILES
    CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=show more
    InChIKey
    RZHKDBRREKOZEW-AAXZNHDCSA-N
    InChI
    1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)show more
    Synonyms
    Edotreotide|DOTATOC|SMT-487|SMT 487|SMT487|Edotreotide [USAN]|Edotreotide [USAN:INN]|DOTA-TOC|N-Acetyl-Lys-Octreotide...
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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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