CHEMBL3977876
SMILES | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O |
InChIKey | KPDWCDURFGPKLY-PDBPWWFNSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 14 |
Rotatable bonds | 19 |
Molecular weight (Da) | 995.5 |
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 |
MC4 | MC4R | Human | Melanocortin | A | pKi | 6.45 | 6.45 | 6.45 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pKi | 10.4 | 10.4 | 10.4 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |