ICI 204448


SMILES OC(=O)COc1cccc(c1)C(N(C(=O)Cc1ccc(c(c1)Cl)Cl)C)CN1CCCC1
InChIKey JKYJSFISYHSNOE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 464.1

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
κ OPRK Rat Opioid A pKi 8.8 8.8 8.8 Guide to Pharmacology
δ OPRD Human Opioid A pKi 6.39 6.39 6.39 ChEMBL
κ OPRK Human Opioid A pKi 8.57 8.66 8.75 ChEMBL
μ OPRM Human Opioid A pKi 6.49 6.49 6.49 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 5.23 5.23 5.23 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Mouse Opioid A pIC50 8.2 8.2 8.2 Guide to Pharmacology
NPS NPSR1 Human Neuropeptide S A Potency 4.5 4.5 4.5 ChEMBL
δ OPRD Human Opioid A pEC50 4.76 4.76 4.76 ChEMBL
κ OPRK Human Opioid A pIC50 8.13 8.13 8.13 ChEMBL