banyu (I)


SMILES O=C(NC1CCN(CC1)Cc1ccc(c(c1)Cl)Cl)CSc1nc2c(s1)cc(cc2)N
InChIKey QOHFBKIKGAINLL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 480.1

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
CCR3 CCR3 Human Chemokine A pKi 8.5 8.5 8.5 Guide to Pharmacology
CCR3 CCR3 Human Chemokine A pKd 8.3 8.3 8.3 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CCR3 CCR3 Human Chemokine A pIC50 8.64 8.64 8.64 ChEMBL
CCR1 CCR1 Human Chemokine A pIC50 5.72 5.72 5.72 ChEMBL