BAY-876


SMILES Cc1c(NC(=O)c2cc(C(N)=O)nc3cc(F)ccc23)c(C(F)(F)F)nn1Cc1ccc(C#N)cc1
InChIKey BKLJDIJJOOQUFG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 496.1

Drug properties

Molecular type Unknown
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H2 HRH2 Human Histamine A pKi 5.09 5.09 5.1 ChEMBL
H1 HRH1 Human Histamine A pKi 5.0 5.0 5.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
EP4 PE2R4 Human Prostanoid A pIC50 5.95 5.95 5.95 ChEMBL
A3 AA3R Human Adenosine A pIC50 5.94 5.94 5.94 ChEMBL