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 (where available)—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. TRAP-6(TFA salt)
    CAS: 141136-83-6(free base) Formula: C34H56N10O9(free base) Molecular Weight: 748.88(free base)
    ● In Stock — US warehouse, ships to EU* Item #: T302834
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    Synonyms
    TRAP-6 | Thrombin receptor activator peptide 6 | PAR-1 agonist peptide
  2. Irinotecan hydrochloride
    CAS: 100286-90-6 EC Number: 600-054-0 Formula: C33H38N4O6 · HCl Molecular Weight: 623.14
    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 #: I102602
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    IUPAC Name
    [(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl] 4-pshow more
    SMILES
    CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.Cl
    InChIKey
    GURKHSYORGJETM-WAQYZQTGSA-N
    InChI
    1S/C33H38N4O6.ClH/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(show more
    Synonyms
    Campto | DTXSID6045953 | U 101440E | UNII-06X131E4OE | Camptosar | Camptothecin 11 | Camptothecin 11 hydrochloride | ...
  3. Harringtonine
    CAS: 26833-85-2 Formula: C28H37NO9 Molecular Weight: 531.6
    ● In Stock — US warehouse, ships to EU* Item #: H274974
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    IUPAC Name
    1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(3-hshow more
    SMILES
    CC(C)(CCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O)O
    InChIKey
    HAVJATCHLFRDHY-KSZYUSJVSA-N
    InChI
    1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-show more
    Synonyms
    CCG-269921 | harringtonine | UNII-088662H40F | ZJ-H | 088662H40F | 1-((1S,3aR,14bS)-2-methoxy-1,5,6,8,9,14b-hexahydro...
  4. Hastatoside
    CAS: 50816-24-5 Formula: C17H24O11 Molecular Weight: 404.37
    ● In Stock — US warehouse, ships to EU* Item #: H303835
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    IUPAC Name
    methyl (1S,4aR,7S,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,6,7,7a-tetrahydrocyclopenta[c]pshow more
    SMILES
    CC1CC(=O)C2(C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O
    InChIKey
    PRZVXHGUJJPSME-CZMSZWGTSA-N
    InChI
    1S/C17H24O11/c1-6-3-9(19)17(24)7(14(23)25-2)5-26-15(10(6)17)28-16-13(22)12(21)11(20)8(4-18)27-16/h5-6,8,10-13,15-16,18,20-22,24H,3-4H2,1-2H3/t6-,8+,10show more
    Synonyms
    methyl (1S,4aR,7S,7aR)-4a-hydroxy-7-methyl-5-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-...
  5. SC-26196
    CAS: 218136-59-5 PubChem CID: 9845201 Formula: C27H29N5 Molecular Weight: 423.56
    ● In Stock — US warehouse, ships to EU* Item #: S276482
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    IUPAC Name
    2,2-diphenyl-5-[4-[(E)-pyridin-3-ylmethylideneamino]piperazin-1-yl]pentanenitrile
    SMILES
    C1CN(CCN1CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)N=CC4=CN=CC=C4
    InChIKey
    QFYKXKMYVYOUNJ-JBASAIQMSA-N
    InChI
    1S/C27H29N5/c28-23-27(25-10-3-1-4-11-25,26-12-5-2-6-13-26)14-8-16-31-17-19-32(20-18-31)30-22-24-9-7-15-29-21-24/h1-7,9-13,15,21-22H,8,14,16-20H2/b30-2show more
    Synonyms
    2,2-Diphenyl-5-[4-[(E)-pyridin-3-ylmethylideneamino]piperazin-1-yl]pentanenitrile | a,a-diphenyl-4-[(3-pyridinylmethy...
  6. Hexadecyl 2-ethylhexanoate
    CAS: 59130-69-7 EC Number: 261-619-1 Formula: C24H48O2 Molecular Weight: 368.64
    ◐ .Made to order · 8–12 wks Item #: H304078
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    IUPAC Name
    hexadecyl 2-ethylhexanoate
    SMILES
    CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC
    InChIKey
    XJNUECKWDBNFJV-UHFFFAOYSA-N
    InChI
    1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3
    Synonyms
    Hexadecyl 2-ethylhexanoate|59130-69-7|Cetyl 2-ethylhexanoate|cetyl ethylhexanoate|HEXANOIC ACID, 2-ETHYL-, HEXADECYL ...
  7. Isofagomine D-Tartrate
    CAS: 957230-65-8 PubChem CID: 56841032 Formula: C10H19NO9 Molecular Weight: 297.26
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    ● In Stock — US warehouse, ships to EU* Item #: I343323
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    IUPAC Name
    (2S,3S)-2,3-dihydroxybutanedioic acid;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol
    SMILES
    C1C(C(C(CN1)O)O)CO.C(C(C(=O)O)O)(C(=O)O)O
    InChIKey
    ULBPPCHRAVUQMC-AWUBODBRSA-N
    InChI
    1S/C6H13NO3.C4H6O6/c8-3-4-1-7-2-5(9)6(4)10;5-1(3(7)8)2(6)4(9)10/h4-10H,1-3H2;1-2,5-6H,(H,7,8)(H,9,10)/t4-,5-,6-;1-,2-/m10/s1
    Synonyms
    Isofagomine (D-tartrate) | Afegostat D-Tartrate | Afegostat D-Tartrate (D-Isofagomine (D-Tartrate); Isofagomine (D-Ta...
  8. Illudin S
    CAS: 1149-99-1 Formula: C15H20O4 Molecular Weight: 264.32
    Solid ≥98%
    ◐ .Made to order · 8–12 wks Item #: I329464
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    IUPAC Name
    (1R,2S,5R)-1,5-dihydroxy-2-(hydroxymethyl)-2,5,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-4-one
    SMILES
    CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)CO)O
    InChIKey
    DDLLIYKVDWPHJI-RDBSUJKOSA-N
    InChI
    1S/C15H20O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,12,16,18-19H,4-5,7H2,1-3H3/t12-,13+,14+/m1/s1
    Synonyms
    (2'S,3'R,6'R)-2',3'-Dihydro-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethylspiro[cyclopropane-1,5'-[5H]inden]-7...
  9. Inosine Pranobex
    CAS: 36703-88-5 EC Number: 253-162-1 PubChem CID: 135449284 Formula: C10H12N4O5·3C9H9NO3·3C5H13NO Molecular Weight: 1115.25
    ● In Stock — Germany Item #: I157706
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    IUPAC Name
    4-acetamidobenzoic acid;9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;1-(dimethylamino)propan-2-ol
    SMILES
    CC(CN(C)C)O.CC(CN(C)C)O.CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)show more
    InChIKey
    YLDCUKJMEKGGFI-QCSRICIXSA-N
    InChI
    1S/C10H12N4O5.3C9H9NO3.3C5H13NO/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18;3*1-6(11)10-8-4-2-7(3-5-8)9(12)13;3*1-5(7)4-6(2)3/h2-4,6-7,10,show more
    Synonyms
    Inosine & 1-(dimethylamino)-2-propanol & 4-(acetylamino)benzoate (salt) (1:3:3) | Inosine-2-hydroxypropyldimethylammo...
  10. SCH 529074
    CAS: 922150-11-6 PubChem CID: 12001922 Formula: C31H36Cl2N6 Molecular Weight: 563.56
    ● In Stock — US warehouse, ships to EU* Item #: S288633
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    IUPAC Name
    N-[2-[[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]methyl]quinazolin-4-yl]-N',N'-dimethylpropane-1,3-diamine
    SMILES
    CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl
    InChIKey
    NCAJLQDPTZBGJV-UHFFFAOYSA-N
    InChI
    1S/C31H36Cl2N6/c1-37(2)17-5-16-34-31-27-6-3-4-7-28(27)35-29(36-31)22-38-18-20-39(21-19-38)30(23-8-12-25(32)13-9-23)24-10-14-26(33)15-11-24/h3-4,6-15,3show more
    Synonyms
    N3-[2-[[4-[Bis(4-chlorophenyl)methyl]-1-piperazinyl]methyl]-4-quinazolinyl]-N1,N1-dimethyl-1,3-propanediamine | (E)-N...
  11. Isomalt
    CAS: 64519-82-0 EC Number: 613-617-0 Formula: C12H24O11 Molecular Weight: 344.31
    Solid ≥99%
    ● In Stock — Germany Item #: I304269
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    IUPAC Name
    (3R,4R,5R)-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,4,5-pentol
    SMILES
    C(C1C(C(C(C(O1)OCC(C(C(C(CO)O)O)O)O)O)O)O)O
    InChIKey
    SERLAGPUMNYUCK-BLEZHGCXSA-N
    InChI
    1S/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H2/t4?,5-,6-,7-,8-,9-,10+,11-,12+/m1/s1
    Synonyms
    (3R,4R,5R)-6-(((2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)hexane-1,2,3,4,5-penta...
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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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