CHEMBL2114442


SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCN=C(N)N)[C@@H]1CCc2ccccc21)C(N)=O
InChIKey WQBAJJUMZMRMSM-VRWYXATPSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Protein
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NK3 NK3R Rat Tachykinin A pIC50 5.68 5.68 5.68 ChEMBL
NK1 NK1R Rat Tachykinin A pIC50 7.27 7.27 7.27 ChEMBL
NK2 NK2R Rat Tachykinin A pIC50 6.28 6.28 6.28 ChEMBL