CHEMBL522460


SMILES Cc1ccccc1CN1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIKey CWPKTBMRVATCBL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 404.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations M1

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pKi 7.72 7.72 7.72 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 6.22 6.22 6.22 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.54 6.54 6.54 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.03 6.03 6.03 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.89 6.89 6.89 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.37 6.37 6.37 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.96 7.96 7.96 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.5 6.5 6.5 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.07 7.07 7.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M5 ACM5 Rat Acetylcholine (muscarinic) A pIC50 5.4 5.4 5.4 ChEMBL
M4 ACM4 Rat Acetylcholine (muscarinic) A pIC50 6.31 6.31 6.31 ChEMBL
M3 ACM3 Rat Acetylcholine (muscarinic) A pIC50 5.26 5.26 5.26 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pIC50 5.89 5.89 5.89 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pEC50 7.1 7.1 7.1 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 5.31 5.31 5.31 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 6.13 6.13 6.13 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 5.63 5.63 5.64 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.46 5.46 5.46 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pEC50 6.54 6.89 8.19 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 5.4 5.4 5.4 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.29 5.44 5.58 ChEMBL