CID2745687


SMILES COC(=O)c1cnn(c1C=NNC(=S)NC(C)(C)C)c1ccc(cc1F)F
InChIKey CYNLZIBKERMMOA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 395.1

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
GPR35 GPR35 Human A orphans A pKi 6.63 7.0 7.38 ChEMBL
GPR35 GPR35 Human A orphans A pKi 7.63 7.63 7.63 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NPS NPSR1 Human Neuropeptide S A Potency 5.0 5.0 5.0 ChEMBL
GPR55 GPR55 Human GPR18, GPR55 and GPR119 A pIC50 5.04 5.04 5.04 ChEMBL
GPR35 GPR35 Human A orphans A pIC50 4.98 6.21 6.8 ChEMBL
GPR35 GPR35 Human A orphans A pIC50 5.84 5.84 5.84 Guide to Pharmacology