ML381


SMILES CN(C(=O)c1noc(c1)COc1cccc(c1)C(=O)C)[C@H](c1ccccn1)C
InChIKey JMYDHMCYZKRDPD-AWEZNQCLSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 379.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 5.0 5.0 5.0 Guide to Pharmacology
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 4.52 4.52 4.52 Guide to Pharmacology
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 4.52 4.52 4.52 Guide to Pharmacology
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 4.52 4.52 4.52 Guide to Pharmacology
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.3 6.3 6.3 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 6.35 6.35 6.35 ChEMBL