MK-7622

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Search structure


Synonyms	MK7622 Mk-7622
Status
Molecule Category	UNKNOWN
UNII	57R7D1Q49R


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

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

Bioactivity

Mechanism of Action	Action	Reference
Muscarinic acetylcholine receptor M1 positive allosteric modulator	POSITIVE ALLOSTERIC MODULATOR	PubMed PubMed Other


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

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	-

Assay Description	Organism	Bioactivity	Reference
Positive allosteric modulation of human muscarinic acetylcholine receptor M1 expressed in CHO cells assessed as increase in acetylcholine-induced calcium mobilization preincubated for 10 mins followed by acetylcholine addition by Fluo-8-AM dye based FLIPR assay	Homo sapiens	63.0 nM
Displacement of [3H]PT-1284 human muscarinic acetylcholine receptor M1 expressed in CHO cell membranes after 90 mins scintillation counting method	Homo sapiens	8.0 nM
Positive allosteric modulation of human muscarinic acetylcholine M1 receptor expressed in CHO-NFAT cells assessed as potentiation of acetylcholine-induced calcium mobilization after 4 hrs by CCF4-AM dye-based assay	Homo sapiens	100.0 nM

Cross References

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

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).