AZD7268   Click here for help

GtoPdb Ligand ID: 7824

Synonyms: AZ 12488024 | AZ-12488024 | AZ12488024 | AZD 7268 | AZD-7268
Compound class: Synthetic organic
Comment: AZD7268 is a potent, selective and reversible CNS‐penetrating and orally bioavailable δ-opioid receptor agonist.
This compound was in the AstraZeneca/MRC repurposing list from 2011.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 97.8
Molecular weight 498.21
XLogP 3.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCCN(C(=O)c1ccc(cc1)C(=C1CCN(CC1)Cc1cscn1)c1cccc2c1nccc2)C
Isomeric SMILES OCCN(C(=O)c1ccc(cc1)C(=C1CCN(CC1)Cc1cscn1)c1cccc2c1nccc2)C
InChI InChI=1S/C29H30N4O2S/c1-32(16-17-34)29(35)24-9-7-21(8-10-24)27(26-6-2-4-23-5-3-13-30-28(23)26)22-11-14-33(15-12-22)18-25-19-36-20-31-25/h2-10,13,19-20,34H,11-12,14-18H2,1H3
InChI Key ZJKUETLEJYCOBO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(2-hydroxyethyl)-N-methyl-4-[quinolin-8-yl-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-ylidene]methyl]benzamide
Synonyms Click here for help
AZ 12488024 | AZ-12488024 | AZ12488024 | AZD 7268 | AZD-7268
Database Links Click here for help
ChEMBL Ligand CHEMBL1946618
GtoPdb PubChem SID 223366155
PubChem CID 24772484
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