CHEMBL428801
SMILES | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(I)cc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O |
InChIKey | NVIBFTUPAARCBA-MYGWSCCLSA-N |
Chemical properties
Hydrogen bond acceptors | None |
Hydrogen bond donors | None |
Rotatable bonds | None |
Molecular weight (Da) |
Drug properties
Molecular type | Protein |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pKd | 10.3 | 10.3 | 10.3 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKd | 8.3 | 8.3 | 8.3 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKd | 9.7 | 9.7 | 9.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 9.16 | 9.16 | 9.16 | ChEMBL |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 9.72 | 9.72 | 9.72 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 10.26 | 10.26 | 10.26 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 8.74 | 8.74 | 8.74 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 8.95 | 8.95 | 8.95 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 8.6 | 8.6 | 8.6 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 9.24 | 9.24 | 9.24 | ChEMBL |