CHEMBL427606


SMILES CC(C)C[C@@H]1CN[C@@H](CC(=O)N(N)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1
InChIKey LQJFXPXFJXBVQH-PNENPXGJSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 9
Rotatable bonds 13
Molecular weight (Da) 908.5

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
NK2 NK2R Golden hamster Tachykinin A pKd 8.39 8.39 8.39 ChEMBL
NK2 NK2R Rabbit Tachykinin A pKd 6.89 6.89 6.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database