CHEMBL1206764


SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12
InChIKey BBASVKVVEFLJCU-JVKBCILWSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 698.3

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
NK1 NK1R Human Tachykinin A pKi 8.02 8.42 8.82 ChEMBL
NK2 NK2R Human Tachykinin A pKi 5.62 5.62 5.62 ChEMBL
NK3 NK3R Rat Tachykinin A pKi 8.3 8.3 8.3 ChEMBL
NK2 NK2R Rabbit Tachykinin A pKi 8.25 8.25 8.25 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database