CHEMBL4105113


SMILES CCCCCCCCCCCCCCCC(=O)NCCOCCOCCOCCOCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIKey MRWOEDGGNFMUJP-BOVVMFHJSA-N

Chemical properties

Hydrogen bond acceptors 18
Hydrogen bond donors 17
Rotatable bonds 62
Molecular weight (Da) 1647.0

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NMU1 NMUR1 Mouse Neuromedin U A pEC50 6.52 6.52 6.52 ChEMBL
NMU2 NMUR2 Mouse Neuromedin U A pEC50 8.12 8.12 8.12 ChEMBL
NMU2 NMUR2 Human Neuromedin U A pEC50 8.24 8.24 8.24 ChEMBL
NMU1 NMUR1 Human Neuromedin U A pEC50 7.28 7.28 7.28 ChEMBL