Ici-199441


SMILES Clc1cc(ccc1Cl)CC(=O)N([C@H](CN1CCCC1)c1ccccc1)C
InChIKey AEJOEPSMZCEYJN-HXUWFJFHSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 390.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Bioactivity

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pKi 10.4 10.4 10.4 Guide to Pharmacology
μ OPRM Human Opioid A pKi 7.28 7.28 7.28 Guide to Pharmacology
κ OPRK Mouse Opioid A pIC50 8.6 8.6 8.6 ChEMBL
UT UR2R Human Urotensin A pKi 5.4 5.4 5.4 ChEMBL
κ OPRK Guinea pig Opioid A pIC50 8.16 8.68 9.57 ChEMBL
δ OPRD Human Opioid A pIC50 6.22 6.22 6.22 ChEMBL
δ OPRD Human Opioid A pKi 7.62 7.62 7.62 ChEMBL
κ OPRK Human Opioid A pKi 10.27 10.35 10.4 ChEMBL
κ OPRK Human Opioid A pEC50 9.4 9.48 9.52 ChEMBL
μ OPRM Human Opioid A pKi 7.28 7.28 7.28 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.5 4.5 4.5 ChEMBL