CHEMBL3759714
SMILES | CCCCCCCCCCCCCCCC(=O)NC(C)(C)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 | BQBLRVAWYXTIRR-IURAFAQNSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 15 |
Rotatable bonds | 45 |
Molecular weight (Da) | 1270.8 |
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 | 6.85 | 6.85 | 6.85 | ChEMBL |
NMU2 | NMUR2 | Human | Neuromedin U | A | pEC50 | 6.97 | 6.97 | 6.97 | ChEMBL |