foropafant


SMILES CN(CCN(c1scc(n1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)Cc1cccnc1)C
InChIKey VVBFISAUNSXQGZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 10
Molecular weight (Da) 464.3

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 5ZKP

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Human Cannabinoid A pKi 7.46 7.98 8.42 ChEMBL
CB1 CNR1 Human Cannabinoid A pKi 5.22 5.57 5.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CB2 CNR2 Human Cannabinoid A pEC50 7.29 8.24 9.19 ChEMBL
CB1 CNR1 Human Cannabinoid A pEC50 4.79 4.79 4.79 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 5.0 5.0 5.0 ChEMBL
CB2 CNR2 Human Cannabinoid A pEC50 6.97 6.97 6.97 Guide to Pharmacology