CHEMBL52004


SMILES NC(N)=NCCC[C@H](N)C(=O)NCc1ccc(NC(=O)[C@H](Cc2ccc3ccccc3c2)N=C(NC2CCCCC2)NC2CCCCC2)cc1
InChIKey DLZRUOUPLDQRRG-PXLJZGITSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 7
Rotatable bonds 14
Molecular weight (Da) 681.4

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
NK1 NK1R Human Tachykinin A pKd 5.82 5.82 5.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database