CHEMBL384036
SMILES | CCCCC(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCc3c(Cl)cccc3C2)NC1=O |
InChIKey | PIYXFYPHLODUHH-MVZZTEKNSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 11 |
Rotatable bonds | 13 |
Molecular weight (Da) | 1023.5 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pIC50 | 4.83 | 4.86 | 4.88 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.17 | 6.28 | 6.39 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.98 | 7.15 | 7.32 | ChEMBL |