MRS4478


SMILES OC(=O)c1cc(cc(c1)n1nnc(c1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(=O)N
InChIKey ODSCFSVBFVSJFO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 452.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
δ OPRD Human Opioid A pKi 5.83 5.83 5.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
P2Y14 P2Y14 Human P2Y A pIC50 6.57 6.57 6.57 Guide to Pharmacology
P2Y14 P2Y14 Mouse P2Y A pIC50 6.04 6.04 6.04 ChEMBL
P2Y14 P2Y14 Human P2Y A pIC50 6.57 6.57 6.57 ChEMBL