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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
propan-2-yl 4-[4-[(3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hexahydro-3H-benzimidazol-1-yl]piperidin-1-yl]-4-methylpiperidine-1-carboxylate
Synonyms Click here for help
AZ 12677524 | AZ-12677524 | AZ12677524 | AZD 6088 | AZD-6088
Database Links Click here for help
GtoPdb PubChem SID 223366153
PubChem CID 25195463
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