CHEMBL1788251


SMILES COc1cc(C[C@@H]2NCCc3cc(O)c(O)c(F)c32)cc(OC)c1OC
InChIKey MKRDKFSQEPQZSX-LBPRGKRZSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 363.1

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
β1 B0FL73 Guinea pig Adrenoceptors A pKi 7.12 7.12 7.12 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pKi 7.35 7.35 7.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
β1 B0FL73 Guinea pig Adrenoceptors A pEC50 6.62 6.62 6.62 ChEMBL
β2 ADRB2 Guinea pig Adrenoceptors A pEC50 6.53 6.53 6.53 ChEMBL
TP TA2R Human Prostanoid A pIC50 4.4 4.4 4.4 ChEMBL