By Target / Pathway / Disease

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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 (where available) for designing and evaluating ADC constructs.

PROTAC

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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. EST73502 hydrochloride
    CAS: 2307458-82-6 Formula: C19H26F2N2O2 · xHCl Molecular Weight: 344.28(free base)
    ● In Stock — US warehouse, ships to EU* Item #: E412919
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    IUPAC Name
    (2R)-9-[2-(2,5-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
    SMILES
    CCN1CC2(CCN(CC2)CCC3=C(C=CC(=C3)F)F)OC(C1=O)C.Cl
    InChIKey
    WZJJIHSIBMZUIN-PFEQFJNWSA-N
    InChI
    1S/C19H26F2N2O2.ClH/c1-3-23-13-19(25-14(2)18(23)24)7-10-22(11-8-19)9-6-15-12-16(20)4-5-17(15)21;/h4-5,12,14H,3,6-11,13H2,1-2H3;1H/t14-;/m1./s1
    Synonyms
    EST73502 HCl
  2. ETC-1002, ATP-citrate synthase inhibitor
    CAS: 738606-46-7 EC Number: 810-485-8 Formula: C19H36O5 Molecular Weight: 344.49
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E425759
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    IUPAC Name
    8-hydroxy-2,2,14,14-tetramethylpentadecanedioic acid
    SMILES
    CC(C)(CCCCCC(CCCCCC(C)(C)C(=O)O)O)C(=O)O
    InChIKey
    HYHMLYSLQUKXKP-UHFFFAOYSA-N
    InChI
    1S/C19H36O5/c1-18(2,16(21)22)13-9-5-7-11-15(20)12-8-6-10-14-19(3,4)17(23)24/h15,20H,5-14H2,1-4H3,(H,21,22)(H,23,24)
    Synonyms
    acido bempedoico | CHEBI:44212 | DB11936 | (2R,3R)-rel-2,3-Dihydroxysuccinic acid | A905695 | AS-49804 | EINECS 207-3...
  3. Ecliptasaponin A
    CAS: 78285-90-2 EC Number: 278-887-0 PubChem CID: 476537 Formula: C36H58O9 Molecular Weight: 634.84
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E425942
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    IUPAC Name
    (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,show more
    SMILES
    CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C(=O)O)C
    InChIKey
    WYDPEADEZMZKNM-ZBKPBKBGSA-N
    InChI
    1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24show more
    Synonyms
    CCG-270299 | CHEBI:184046 | Echinocystic acid-3-o-glucoside | Echinocystic acid 3-glucoside | (4aR,5R,6aR,6aS,6bR,8aR...
  4. Ecliptasaponin A
    CAS: 78285-90-2 PubChem CID: 476537 Formula: C36H58O9 Molecular Weight: 634.84
    ● In Stock — US warehouse, ships to EU* Item #: E414396
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    IUPAC Name
    (4aR,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,show more
    SMILES
    CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C(=O)O)C
    InChIKey
    WYDPEADEZMZKNM-ZBKPBKBGSA-N
    InChI
    1S/C36H58O9/c1-31(2)14-15-36(30(42)43)20(16-31)19-8-9-23-33(5)12-11-25(45-29-28(41)27(40)26(39)21(18-37)44-29)32(3,4)22(33)10-13-34(23,6)35(19,7)17-24show more
    Synonyms
    CCG-270299 | CHEBI:184046 | Echinocystic acid-3-o-glucoside | Echinocystic acid 3-glucoside | (4aR,5R,6aR,6aS,6bR,8aR...
  5. Econazole, Channel blocker of TRPM2;Channel blocker of TRPV5
    CAS: 27220-47-9 EC Number: 248-341-6 Formula: C18H15Cl3N2O Molecular Weight: 381.68
    Liquid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E422959
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    IUPAC Name
    1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
    SMILES
    C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
    InChIKey
    LEZWWPYKPKIXLL-UHFFFAOYSA-N
    InChI
    1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
    Synonyms
    econazole|27220-47-9|Ecostatin|Econazolum|Econazol|(+-)-Econazole|Spectazole|1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-di...
  6. EN6
    CAS: 1808714-73-9 EC Number: 846-764-6 Formula: C19H14F2N4O2 Molecular Weight: 368.34
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E422218
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    IUPAC Name
    1-(2-fluorophenyl)-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]pyrazole-4-carboxamide
    SMILES
    C=CC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CN(N=C2)C3=CC=CC=C3F)F
    InChIKey
    SUSXQEYPNDORDQ-UHFFFAOYSA-N
    InChI
    1S/C19H14F2N4O2/c1-2-18(26)24-16-9-13(7-8-14(16)20)23-19(27)12-10-22-25(11-12)17-6-4-3-5-15(17)21/h2-11H,1H2,(H,23,27)(H,24,26)
    Synonyms
    BS-15697 | SCHEMBL21393135 | ZB1625 | EN300-1720461 | AC-36359 | Z1410267069 | AKOS037648810 | EN6 | EN-6 | ABM-4739 ...
  7. EPZ 004777, Inhibitor of DOT1 like histone lysine methyltransferase
    CAS: 1338466-77-5 Formula: C28H41N7O4 Molecular Weight: 539.67
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E421281
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    IUPAC Name
    1-[3-[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea
    SMILES
    CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)CC2C(C(C(O2)N3C=CC4=C(N=CN=C43)N)O)O
    InChIKey
    WXRGFPHDRFQODR-ICLZECGLSA-N
    InChI
    1S/C28H41N7O4/c1-17(2)34(13-6-12-30-27(38)33-19-9-7-18(8-10-19)28(3,4)5)15-21-22(36)23(37)26(39-21)35-14-11-20-24(29)31-16-32-25(20)35/h7-11,14,16-17,show more
    Synonyms
    EPZ004777|1338466-77-5|1-(3-((((2R,3S,4R,5R)-5-(4-Amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxytetrahydrofuran...
  8. EPZ005687, Inhibitor of enhancer of zeste 2 polycomb repressive complex 2 subunit
    CAS: 1396772-26-1 Formula: C32H37N5O3 Molecular Weight: 539.67
    Liquid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 2mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E421487
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    IUPAC Name
    1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4-carboxamide
    SMILES
    CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC=C(C=C4)CN5CCOCC5)C6CCCC6)C
    InChIKey
    ZOIBZSZLMJDVDQ-UHFFFAOYSA-N
    InChI
    1S/C32H37N5O3/c1-21-15-22(2)35-32(39)28(21)18-33-31(38)27-16-25(17-30-29(27)19-34-37(30)26-5-3-4-6-26)24-9-7-23(8-10-24)20-36-11-13-40-14-12-36/h7-10,show more
    Synonyms
    Q27077206 | 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]indazole-4...
  9. ETP-46464
    CAS: 1345675-02-6 Formula: C30H22N4O2 Molecular Weight: 470.52
    Liquid 10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: E421298
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    IUPAC Name
    2-methyl-2-[4-(2-oxo-9-quinolin-3-yl-4H-[1,3]oxazino[5,4-c]quinolin-1-yl)phenyl]propanenitrile
    SMILES
    CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3COC2=O)C5=CC6=CC=CC=C6N=C5
    InChIKey
    DPLMXAYKJZOTKO-UHFFFAOYSA-N
    InChI
    1S/C30H22N4O2/c1-30(2,18-31)23-8-10-24(11-9-23)34-28-22(17-36-29(34)35)16-33-27-12-7-19(14-25(27)28)21-13-20-5-3-4-6-26(20)32-15-21/h3-16H,17H2,1-2H3
    Synonyms
    Benzeneacetonitrile, α,α-dimethyl-4-[2-oxo-9-(3-quinolinyl)-2H-[1,3]oxazino[5,4-c]quinolin-1(4H)-yl]-
  10. EXP 3174, Antagonist of AT 1 receptor
    CAS: 124750-92-1 EC Number: 112-196-6 Formula: C22H21ClN6O2 Molecular Weight: 436.89
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E421048
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    IUPAC Name
    2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
    SMILES
    CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)Cl
    InChIKey
    ZEUXAIYYDDCIRX-UHFFFAOYSA-N
    InChI
    1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(Hshow more
    Synonyms
    2-Butyl-5-chloro-3-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazole-4-carboxylic acid | GD76OCH73X | ZEUXAIY...
  11. EPZ015866 (GSK591), Inhibitor of protein arginine methyltransferase 5
    CAS: 1616391-87-7 Formula: C22H28N4O2 Molecular Weight: 380.5
    Liquid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E421951
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    IUPAC Name
    2-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
    SMILES
    C1CC(C1)NC2=NC=CC(=C2)C(=O)NCC(CN3CCC4=CC=CC=C4C3)O
    InChIKey
    TWKYXZSXXXKKJU-FQEVSTJZSA-N
    InChI
    1S/C22H28N4O2/c27-20(15-26-11-9-16-4-1-2-5-18(16)14-26)13-24-22(28)17-8-10-23-21(12-17)25-19-6-3-7-19/h1-2,4-5,8,10,12,19-20,27H,3,6-7,9,11,13-15H2,(Hshow more
    Synonyms
    (S)-2-(Cyclobutylamino)-N-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-2-hydroxypropyl)isonicotinamide;GSK3203591;GSK 591;2-(...
  12. ETC-159, Inhibitor of porcupine O-acyltransferase
    CAS: 1638250-96-0 Formula: C19H17N7O3 Molecular Weight: 391.38
    Liquid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E422019
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    IUPAC Name
    2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide
    SMILES
    CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4
    InChIKey
    QTRXIFVSTWXRJJ-UHFFFAOYSA-N
    InChI
    1S/C19H17N7O3/c1-24-17-16(18(28)25(2)19(24)29)26(11-20-17)10-15(27)21-14-9-8-13(22-23-14)12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,21,23,27)
    Synonyms
    NSC809251 | NSC-809251 | 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-phenylpyridazin-3-yl)acetam...
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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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