AZD6088   Click here for help

GtoPdb Ligand ID: 7822

Synonyms: AZ 12677524 | AZ-12677524 | AZ12677524 | AZD 6088 | AZD-6088
Compound class: Synthetic organic
Comment: The structure of AZD6088 is shown in [2]. The compound is a potent and selective, orally bioavailable partial agonist of the M1 muscarinic receptor.
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 7
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 65.12
Molecular weight 392.28
XLogP 2.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCOC(=O)N1CCC(CC1)(C)N1CCC(CC1)N1C(=O)NC2C1CCCC2
Isomeric SMILES CCOC(=O)N1CCC(CC1)(C)N1CCC(CC1)N1C(=O)N[C@@H]2[C@@H]1CCCC2
InChI InChI=1S/C21H36N4O3/c1-3-28-20(27)23-14-10-21(2,11-15-23)24-12-8-16(9-13-24)25-18-7-5-4-6-17(18)22-19(25)26/h16-18H,3-15H2,1-2H3,(H,22,26)/t17-,18-/m0/s1
InChI Key IVJDEIANCSDDAO-ROUUACIJSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
M1 receptor Primary target of this compound Hs Agonist Partial agonist 8.3 pEC50 - 1
pEC50 8.3 (EC50 5x10-9 M) [1]