CHEMBL115444


SMILES O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC(n2c(O)nc3ccccc32)CC1
InChIKey HLZHNRNWOPIWCL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 429.1

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
D5 DRD5 Human Dopamine A pIC50 5.31 5.31 5.31 ChEMBL
MT1 MTR1A Human Melatonin A pIC50 5.76 5.76 5.76 ChEMBL
5-HT1B 5HT1B Human 5-Hydroxytryptamine A pIC50 6.15 6.15 6.15 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 5.36 5.36 5.36 ChEMBL
V1A V1AR Human Vasopressin and oxytocin A pIC50 5.65 5.65 5.65 ChEMBL
D1 DRD1 Human Dopamine A pIC50 5.12 5.12 5.12 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 5.33 5.33 5.33 ChEMBL
δ OPRD Human Opioid A pIC50 5.6 5.6 5.6 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.75 5.75 5.75 ChEMBL
κ OPRK Human Opioid A pIC50 6.55 6.55 6.55 ChEMBL
A1 AA1R Human Adenosine A pIC50 5.58 5.58 5.58 ChEMBL
μ OPRM Human Opioid A pIC50 6.83 6.83 6.83 ChEMBL