CHEMBL4177021


SMILES CC(=O)N[C@@H](Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](Cc1ccccc1)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(N)=O
InChIKey XFVDAPQQKGNIQM-YFWBWJTRSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 16
Rotatable bonds 33
Molecular weight (Da) 1180.7

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 pEC50 8.4 8.4 8.4 ChEMBL
NMU1 NMUR1 Human Neuromedin U A pIC50 9.82 9.82 9.82 ChEMBL
NMU2 NMUR2 Human Neuromedin U A pEC50 9.15 9.15 9.15 ChEMBL
NMU2 NMUR2 Human Neuromedin U A pIC50 8.62 8.62 8.62 ChEMBL