BAY-899


SMILES O=C(Nc1cnc(Oc2ccc(F)cc2)nc1)N1CCc2ncccc2[C@@H]1c1ccc(F)cc1
InChIKey VKQBTIMLSDGNLG-QHCPKHFHSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 459.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pKi 5.12 5.12 5.12 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
LH LSHR Rat Glycoprotein hormone A pIC50 7.34 7.34 7.34 ChEMBL
LH LSHR Human Glycoprotein hormone A pIC50 6.73 6.73 6.73 ChEMBL
TSH TSHR Human Glycoprotein hormone A pIC50 4.62 4.62 4.62 ChEMBL