COCAINE


SMILES COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2)C[C@@H]2CC[C@H]1N2C
InChIKey ZPUCINDJVBIVPJ-LJISPDSOSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 303.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 4.21 4.21 4.21 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pKi 8.26 8.26 8.26 Drug Central
α1A ADA1A Human Adrenoceptors A pKi 8.25 8.25 8.25 Drug Central
H1 HRH1 Human Histamine A pKi 8.25 8.25 8.25 Drug Central
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 8.38 8.38 8.38 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pIC50 8.29 8.29 8.29 Drug Central