CHEMBL3144210


SMILES CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1cn(C(=O)OCCCCCCN)c2ccccc12)NC(=O)C[C@@H]1NC(=O)[C@@H]2C3CCC(CC3)N2C1=O
InChIKey XTBGOODXUVJDEK-IUFSZXBYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 18
Molecular weight (Da) 831.4

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 Rat Tachykinin A pKd 5.0 5.0 5.0 ChEMBL
NK2 NK2R Rabbit Tachykinin A pKd 5.0 5.0 5.0 ChEMBL
NK1 NK1R Human Tachykinin A pKd 7.4 7.4 7.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK2 NK2R Rat Tachykinin A pIC50 6.61 6.61 6.61 ChEMBL
NK1 NK1R Rat Tachykinin A pIC50 5.5 5.5 5.5 ChEMBL
NK2 NK2R Human Tachykinin A pIC50 7.34 7.34 7.34 ChEMBL
NK1 NK1R Human Tachykinin A pIC50 7.47 7.47 7.47 ChEMBL