AZD6703   

GtoPdb Ligand ID: 7687

Synonyms: AZ 12012199 | AZ-12012199 | AZ12012199 | AZD 6703 | AZD-6703
Compound class: Synthetic organic
Comment: AZD6703 is a potent, selective and reversible orally bioavailable inhibitor of p38 mitogen-activated protein kinase 14 (MAPK14).
This compound was in the AstraZeneca/MRC repurposing list from 2011.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 69.95
Molecular weight 417.22
XLogP 3.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1CCN(CC1)c1ccc2c(c1)c(=O)n(cn2)c1cc(ccc1C)C(=O)NC1CC1
Isomeric SMILES CN1CCN(CC1)c1ccc2c(c1)c(=O)n(cn2)c1cc(ccc1C)C(=O)NC1CC1
InChI InChI=1S/C24H27N5O2/c1-16-3-4-17(23(30)26-18-5-6-18)13-22(16)29-15-25-21-8-7-19(14-20(21)24(29)31)28-11-9-27(2)10-12-28/h3-4,7-8,13-15,18H,5-6,9-12H2,1-2H3,(H,26,30)
InChI Key ZMAZXHICVRYLQN-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-cyclopropyl-4-methyl-3-[6-(4-methylpiperazin-1-yl)-4-oxoquinazolin-3-yl]benzamide
Synonyms
AZ 12012199 | AZ-12012199 | AZ12012199 | AZD 6703 | AZD-6703
Database Links
CAS Registry No. 1083381-65-0 (source: SciFinder)
ChEMBL Ligand CHEMBL2031465
GtoPdb PubChem SID 223366022
PubChem CID 11373432
RCSB PDB Ligand NQB
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SynPHARM 80146 (in complex with mitogen-activated protein kinase 14)