CHEMBL1916635


SMILES COC(=O)C1=C2CCC(C(=O)N[C@@H](CCc3c[nH]c4ccccc34)C(=O)N(C)Cc3ccccc3)N2C(=O)C(NC(=O)OCc2ccccc2)C1
InChIKey JHFYQTLWYXLJOH-IESGLXGPSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 12
Molecular weight (Da) 691.3

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
NK2 NK2R Human Tachykinin A pKi 4.0 4.0 4.0 ChEMBL
NK2 NK2R Human Tachykinin A pKd 6.7 6.7 6.7 ChEMBL
NK1 NK1R Human Tachykinin A pKd 6.7 6.7 6.7 ChEMBL
NK1 NK1R Human Tachykinin A pKi 4.0 4.0 4.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database