CHEMBL504986
SMILES | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc([N+](=O)[O-])ccc2SC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |
InChIKey | ROTHBSFMHAHRTG-VLGXOXMCSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 11 |
Rotatable bonds | 12 |
Molecular weight (Da) | 893.3 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pIC50 | 8.43 | 8.43 | 8.43 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.43 | 7.43 | 7.43 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.33 | 7.33 | 7.33 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 6.72 | 6.72 | 6.72 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 7.36 | 7.36 | 7.36 | ChEMBL |