CHEMBL76093


SMILES CCN(C/C(=N\OC)[C@H](CCN1CCC(n2c(=O)n(CC#N)c3ccccc32)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
InChIKey KKNABYYXFGGHEP-VJKLZRICSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 12
Molecular weight (Da) 728.2

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
NK1 NK1R Human Tachykinin A pKi 8.64 8.64 8.64 ChEMBL
NK2 NK2R Human Tachykinin A pKi 8.6 8.6 8.6 ChEMBL
NK3 NK3R Human Tachykinin A pKi 6.17 6.17 6.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database