CHEMBL1450245


SMILES COc1ccc(CNC(=O)/C=C\c2ccc3[nH]cc(CCN(C)C)c3c2)cc1
InChIKey LBVZWEWTNUDWNS-XFFZJAGNSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 377.2

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
5-HT1D 5HT1D Human 5-Hydroxytryptamine A pKi 6.98 8.25 9.52 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 9.7 9.7 9.7 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.89 8.89 8.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 4.75 4.75 4.75 ChEMBL
NPS NPSR1 Human Neuropeptide S A Potency 6.8 6.8 6.8 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 6.7 6.7 6.7 ChEMBL