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.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
AZ 12488024 | AZ-12488024 | AZ12488024 | AZD 7268 | AZD-7268
Database Links Click here for help
Specialist databases
GPCRdb Ligand AZD7268
Other databases
ChEMBL Ligand CHEMBL1946618
GtoPdb PubChem SID 223366155
PubChem CID 24772484
Search Google for chemical match using the InChIKey ZJKUETLEJYCOBO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone ZJKUETLEJYCOBO
UniChem Compound Search for chemical match using the InChIKey ZJKUETLEJYCOBO-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey ZJKUETLEJYCOBO-UHFFFAOYSA-N