MK-7622

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Synonyms
Status
Molecule Category Free-form
UNII 57R7D1Q49R

Structure

InChI Key JUVQLZBJFOGEEO-GOTSBHOMSA-N
Smiles Cc1ccc(Cc2cc3c(=O)n([C@H]4CCCC[C@@H]4O)cnc3c3ccccc23)cn1
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H25N3O2
Molecular Weight 399.49
AlogP 4.32
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 68.01
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 30.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M1 positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR PubMed PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
63 - - 8 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
63 - - 8 -

Target Conservation

Protein: Muscarinic acetylcholine receptor M1
Description: Muscarinic acetylcholine receptor M1
Organism : Homo sapiens
P11229 ENSG00000168539

Cross References

Resources Reference
ChEMBL CHEMBL4078588
DrugBank DB12897
FDA SRS 57R7D1Q49R
Guide to Pharmacology 10712
PubChem 46207733
SureChEMBL SCHEMBL2399084
ZINC ZINC000095930184
CONTENTS