compound 1 [PMID: 28379944]


SMILES CCc1nc2c(cc(cc2)N(Cc2ccccc2)C(=O)c2cccs2)c(=O)n1Cc1ccc(cc1)c1ccccc1c1n[nH]nn1
InChIKey KDPHUUTUDFDLBT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 623.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 5UNG 5UNF

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 5.02 5.02 5.02 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 5.25 5.25 5.25 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 4.73 4.73 4.73 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database