CHEMBL3287325
SMILES | CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O |
InChIKey | PHPBSUCWKAPUKN-ASDGIDEWSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 11 |
Rotatable bonds | 20 |
Molecular weight (Da) | 917.2 |
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 |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 8.52 | 8.52 | 8.52 | ChEMBL |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 7.66 | 7.66 | 7.66 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 8.37 | 8.37 | 8.37 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.85 | 8.54 | 9.54 | ChEMBL |