CHEMBL1242923


SMILES O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1
InChIKey FLGSUSWMWSZVMP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 407.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pKi 6.04 6.04 6.04 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.58 6.58 6.58 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.05 5.05 5.05 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 5.16 5.16 5.16 ChEMBL
H1 HRH1 Human Histamine A pKi 6.11 6.11 6.11 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 5.16 5.16 5.16 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 5.66 5.66 5.66 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 5.98 5.98 5.98 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.08 6.08 6.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Human Acetylcholine (muscarinic) A pEC50 7.01 7.14 7.21 ChEMBL
MCH1 MCHR1 Human Melanin-concentrating hormone A pEC50 6.89 6.89 6.89 ChEMBL
MCH1 MCHR1 Human Melanin-concentrating hormone A pIC50 5.07 5.07 5.07 ChEMBL