CHEMBL5289040


SMILES CC1=CC(C)=[N+]2C1=C(c1ccc(OCCn3cc(CCCOc4cc(C(=O)O)nc5c(C)c6nc(C(=O)O)cc(O)c6cc45)nn3)cc1)c1nc(C)cn1[B-]2(F)F
InChIKey KHEPRHNLTBJKJD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 776.3

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 pKd 8.13 8.13 8.13 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR35 GPR35 Human A orphans A pEC50 7.09 7.09 7.09 ChEMBL
GPR35 GPR35 Human A orphans A pIC50 5.99 7.0 8.02 ChEMBL