CHEMBL225588


SMILES O=C1C[C@@H](NC(=O)CN2CCC(N3CCOCC3)CC2)C(=O)NC[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1
InChIKey FKXMTDOSYPOSDS-QJMCPCMJSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 10
Molecular weight (Da) 790.4

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
NK3 NK3R Human Tachykinin A pKi 5.9 5.9 5.9 ChEMBL
NK2 NK2R Human Tachykinin A pKi 9.8 9.8 9.8 ChEMBL
NK1 NK1R Human Tachykinin A pKi 6.9 6.9 6.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database