By Target / Pathway / Disease

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).

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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. Evacetrapib (LY2484595), Cholesteryl ester transfer protein inhibitor
    CAS: 1186486-62-3 EC Number: 800-517-9 Formula: C31H36F6N6O2 Molecular Weight: 638.65
    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 #: E408279
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    Synonyms
    Cyclohexanecarboxylic acid, 4-[[(5S)-5-[[[3,5-bis(trifluoromethyl)phenyl]methyl](2-methyl-2H-tetrazol-5-yl)amino]-2,3...
  2. Etomidate Acid
    CAS: 56649-48-0 Formula: C12H12N2O2 Molecular Weight: 216.24
    ● In Stock — US warehouse, ships to EU* Item #: E357563
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    IUPAC Name
    3-[(1R)-1-phenylethyl]imidazole-4-carboxylic acid
    SMILES
    CC(C1=CC=CC=C1)N2C=NC=C2C(=O)O
    InChIKey
    RGYCCBLTSWHXIS-SECBINFHSA-N
    InChI
    1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16/h2-9H,1H3,(H,15,16)/t9-/m1/s1
    Synonyms
    Etomidate acid, (R)- | R28141 | R-28141 | Desethyletomidate | R 28141 | UNII-324NBY7A0M | (R)-(+)-1-(1-PHENYLETHYL)-1...
  3. Euphorbia factor L1
    CAS: 76376-43-7 Formula: C32H40O8 Molecular Weight: 552.7
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E425876
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    IUPAC Name
    [(1'R,2R,3'Z,5'R,7'S,11'S,12'R,13'S,14'S)-1',11'-diacetyloxy-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-1show more
    SMILES
    CC1CC2(C(C1OC(=O)CC3=CC=CC=C3)C(C4(CCC5C(C5(C)C)C=C(C2=O)C)CO4)OC(=O)C)OC(=O)C
    InChIKey
    SDGDWRYYHQOQOJ-QBGQQMMYSA-N
    InChI
    1S/C32H40O8/c1-18-14-24-23(30(24,5)6)12-13-31(17-37-31)29(38-20(3)33)26-27(39-25(35)15-22-10-8-7-9-11-22)19(2)16-32(26,28(18)36)40-21(4)34/h7-11,14,19show more
  4. Euphorbiasteroid
    CAS: 28649-59-4 Formula: C32H40O8 Molecular Weight: 552.66
    Liquid 10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E423001
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    IUPAC Name
    [(1'R,2R,3'E,5'R,7'S,11'S,12'R,13'S,14'S)-1',11'-diacetyloxy-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-1show more
    SMILES
    CC1CC2(C(C1OC(=O)CC3=CC=CC=C3)C(C4(CCC5C(C5(C)C)C=C(C2=O)C)CO4)OC(=O)C)OC(=O)C
    InChIKey
    SDGDWRYYHQOQOJ-XXMLZKCSSA-N
    InChI
    1S/C32H40O8/c1-18-14-24-23(30(24,5)6)12-13-31(17-37-31)29(38-20(3)33)26-27(39-25(35)15-22-10-8-7-9-11-22)19(2)16-32(26,28(18)36)40-21(4)34/h7-11,14,19show more
    Synonyms
    Euphorbia factor L1Benzeneacetic acid,(1aR,​2'R,​2E,​4aR,​6S,​7S,​7aR,​8S,​11aS)​-​4a,​8-​bis(acetyloxy)​-​1,​1a,​4,​...
  5. Euphorbiasteroid
    CAS: 28649-59-4 Formula: C32H40O8 Molecular Weight: 552.66
    ● In Stock — US warehouse, ships to EU* Item #: E413070
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    Technical Identifiers
    IUPAC Name
    [(1'R,2R,3'E,5'R,7'S,11'S,12'R,13'S,14'S)-1',11'-diacetyloxy-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-1show more
    SMILES
    CC1CC2(C(C1OC(=O)CC3=CC=CC=C3)C(C4(CCC5C(C5(C)C)C=C(C2=O)C)CO4)OC(=O)C)OC(=O)C
    InChIKey
    SDGDWRYYHQOQOJ-XXMLZKCSSA-N
    InChI
    1S/C32H40O8/c1-18-14-24-23(30(24,5)6)12-13-31(17-37-31)29(38-20(3)33)26-27(39-25(35)15-22-10-8-7-9-11-22)19(2)16-32(26,28(18)36)40-21(4)34/h7-11,14,19show more
    Synonyms
    Euphorbia factor L1 | Benzeneacetic acid,(1aR,​2'R,​2E,​4aR,​6S,​7S,​7aR,​8S,​11aS)​-​4a,​8-​bis(acetyloxy)​-​1,​1a,​4,...
  6. Euquinine
    CAS: 83-75-0 Formula: C23H28N2O4 Molecular Weight: 396.48
    ● In Stock — US warehouse, ships to EU* Item #: E412583
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    IUPAC Name
    [(R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] ethyl carbonate
    SMILES
    CCOC(=O)OC(C1CC2CCN1CC2C=C)C3=C4C=C(C=CC4=NC=C3)OC
    InChIKey
    NSBRKSWSLRQPJW-WWLNLUSPSA-N
    InChI
    1S/C23H28N2O4/c1-4-15-14-25-11-9-16(15)12-21(25)22(29-23(26)28-5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21-22H,1,5,9,11-12,14H2,2-show more
    Synonyms
    quinine ethylcarbonate|EUQUININE|83-75-0|QUININE ETHYL CARBONATE|Aecachinium|Euquinin|Quinine etabonate|DTXSID0045965...
  7. Evodine
    CAS: 6989-38-4 Formula: C18H19NO5 Molecular Weight: 329.35
    10mM in DMSO
    ◐ .Made to order · 8–12 wks Item #: E425587
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    IUPAC Name
    1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbut-3-en-2-ol
    SMILES
    CC(=C)C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O
    InChIKey
    LNJTUUHDKCPQAA-UHFFFAOYSA-N
    InChI
    1S/C18H19NO5/c1-10(2)13(20)9-24-14-6-5-11-15(17(14)22-4)19-18-12(7-8-23-18)16(11)21-3/h5-8,13,20H,1,9H2,2-4H3
    Synonyms
    3-​Buten-​2-​ol,1-​[(4,​8-​dimethoxyfuro[2,​3-​b]​quinolin-​7-​yl)​oxy]​-​3-​methyl-​,(-​)​-
  8. Evomonoside
    CAS: 508-93-0 Formula: C29H44O8 Molecular Weight: 520.65
    ◐ .Made to order · 8–12 wks Item #: E357528
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    IUPAC Name
    3-[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17show more
    SMILES
    CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)O)O
    InChIKey
    WQMLFJWIKARBFW-BKKMTDGVSA-N
    InChI
    1S/C29H44O8/c1-15-23(31)24(32)25(33)26(36-15)37-18-6-9-27(2)17(13-18)4-5-21-20(27)7-10-28(3)19(8-11-29(21,28)34)16-12-22(30)35-14-16/h12,15,17-21,23-2show more
    Synonyms
    DTXSID501318097 | Digitoxigenin rhamnoside | 3beta-(6-deoxy-alpha-L-mannopyranosyloxy)-14-hydroxy-5beta-card-20(22)-e...
  9. Everolimus-d4
    CAS: 1338452-54-2 Formula: C53H79D4NO14 Molecular Weight: 962.25
    80%Hplc,99atom%D
    ◐ .Made to order · 8–12 wks Item #: E338899
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    Technical Identifiers
    IUPAC Name
    (1R,9S,12S,15R,18R,19R,21R,23S,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)cshow more
    SMILES
    CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC
    InChIKey
    HKVAMNSJSFKALM-FQJUTLEBSA-N
    InChI
    1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24show more
    Synonyms
    42-O-(2-hydroxyethyl-1,1,2,2-d4)-rapamycin
  10. Evobrutinib (M-2951), Tyrosine-protein kinase BTK inhibitor
    CAS: 1415823-73-2 EC Number: 853-472-2 Formula: C25H27N5O2 Molecular Weight: 429.51
    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 #: E421538
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    IUPAC Name
    1-[4-[[[6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl]amino]methyl]piperidin-1-yl]prop-2-en-1-one
    SMILES
    C=CC(=O)N1CCC(CC1)CNC2=NC=NC(=C2C3=CC=C(C=C3)OC4=CC=CC=C4)N
    InChIKey
    QUIWHXQETADMGN-UHFFFAOYSA-N
    InChI
    1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,show more
    Synonyms
    DB15170 | EX-A2691 | 1-(4-(((6-Amino-5-(4-phenoxyphenyl)-4-pyrimidinyl)amino)methyl)-1-piperidinyl)-2-propen-1-one | ...
  11. Evodiamine
    CAS: 518-17-2 EC Number: 637-111-4 Formula: C19H17N3O Molecular Weight: 303.36
    10mM in DMSO
    ● In Stock — US warehouse, ships to EU* Item #: E424446
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    IUPAC Name
    (1S)-21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15,17,19-heptaen-14-one
    SMILES
    CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
    InChIKey
    TXDUTHBFYKGSAH-SFHVURJKSA-N
    InChI
    1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1
    Synonyms
    C09187 | INDOLO(2',3':3,4)PYRIDO(2,1-B)QUINAZOLIN-5(7H)-ONE, 8,13,13B,14-TETRAHYDRO-14-METHYL-, (13BS)- | DTXSID10966...
  12. Etonogestrel, Progesterone receptor agonist
    CAS: 54048-10-1 EC Number: 258-936-2 Formula: C22H28O2 Molecular Weight: 324.46
    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 #: E424618
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    IUPAC Name
    (8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
    SMILES
    CCC12CC(=C)C3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
    InChIKey
    GCKFUYQCUCGESZ-BPIQYHPVSA-N
    InChI
    1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/show more
    Synonyms
    C75537 | NCGC00168777-04 | 18,19-Dinor-17alpha-pregn-4-en-20-yn-3-one, 13-ethyl-17-hydroxy-11-methylene- | s4673 | (1...
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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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