CHEMBL4176945


SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(N)=O)C[C@@H]2CCCC[C@@H]21
InChIKey UAZBFDJEBXWAOT-AOVWUHPVSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 16
Rotatable bonds 32
Molecular weight (Da) 1164.7

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
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
NMU1 NMUR1 Human Neuromedin U A pEC50 6.56 6.56 6.56 ChEMBL
NMU1 NMUR1 Human Neuromedin U A pIC50 7.61 7.61 7.61 ChEMBL
NMU2 NMUR2 Human Neuromedin U A pIC50 7.9 7.9 7.9 ChEMBL
NMU2 NMUR2 Human Neuromedin U A pEC50 7.99 7.99 7.99 ChEMBL