CHEMBL348511
SMILES | CCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O |
InChIKey | PGJYWMVUWDKZMU-ORYMTKCHSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 10 |
Rotatable bonds | 22 |
Molecular weight (Da) | 804.4 |
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 | pIC50 | 6.52 | 6.52 | 6.52 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.1 | 7.1 | 7.1 | ChEMBL |