CHEMBL3896855
SMILES | CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)[C@H](CCCN)NC1=O |
InChIKey | PZIFNFPVBLKSJE-VEIVPZTASA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 12 |
Rotatable bonds | 16 |
Molecular weight (Da) | 834.4 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 5.0 | 5.0 | 5.0 | ChEMBL |
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 |