MK-7622

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 57R7D1Q49R

Structure
InChI Key JUVQLZBJFOGEEO-GOTSBHOMSA-N
Smile 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

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR Muscarinic acetylcholine receptor M1 positive allosteric modulator PubMed PubMed Other
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 13300 - - -
Enzyme Oxidoreductase
- 4400 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 60000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
63 - - 8 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 2 D000544 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1227923-29-6
ChEMBL CHEMBL4078588
DrugBank DB12897
FDA SRS 57R7D1Q49R
Guide to Pharmacology 10712
PubChem 46207733
SureChEMBL SCHEMBL2399084
ZINC ZINC000095930184
CONTENTS