CHEMBL4162351


SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NC1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)CCc2ccccc2C1
InChIKey KZXPBIGXGGBZGL-MWHQWTMUSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 16
Rotatable bonds 31
Molecular weight (Da) 1178.6

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

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
NMU1 NMUR1 Human Neuromedin U A pIC50 8.06 8.06 8.06 ChEMBL
NMU1 NMUR1 Human Neuromedin U A pEC50 7.54 7.54 7.54 ChEMBL
NMU2 NMUR2 Human Neuromedin U A pIC50 7.39 7.39 7.39 ChEMBL
NMU2 NMUR2 Human Neuromedin U A pEC50 8.42 8.42 8.42 ChEMBL