MK-7622   Click here for help

GtoPdb Ligand ID: 10712

Synonyms: MK7622
Compound class: Synthetic organic
Comment: MK-7622 is a high cooperativity positive allosteric modulator of the M1 muscarinic acetylcholine receptor (M1R) [1-3]. Clinical development of MK-7622 as a therapy for neurological and cognitive disorders was terminated at Phase 2.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 68.01
Molecular weight 399.19
XLogP 4.28
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)C
Isomeric SMILES O[C@H]1CCCC[C@@H]1n1cnc2c(c1=O)cc(c1c2cccc1)Cc1ccc(nc1)C
InChI InChI=1S/C25H25N3O2/c1-16-10-11-17(14-26-16)12-18-13-21-24(20-7-3-2-6-19(18)20)27-15-28(25(21)30)22-8-4-5-9-23(22)29/h2-3,6-7,10-11,13-15,22-23,29H,4-5,8-9,12H2,1H3/t22-,23-/m0/s1
InChI Key JUVQLZBJFOGEEO-GOTSBHOMSA-N