CHEMBL3144339


SMILES CCCCCCCC(=O)n1cc(C[C@@H](NC(=O)C[C@@H]2NC(=O)[C@@H]3C4CCC(CC4)N3C2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)Cc2ccccc2)c2ccccc21
InChIKey LMKXUGXJFNHYIM-VLKHTXRVSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 18
Molecular weight (Da) 814.4

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 4.9 4.9 4.9 ChEMBL
NK2 NK2R Rabbit Tachykinin A pKd 4.8 4.8 4.8 ChEMBL
NK1 NK1R Human Tachykinin A pKd 4.9 4.9 4.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database