CHEMBL4212209
SMILES | N=C(N)NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)C2(CCC2)NC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |
InChIKey | ZWTUZOQCWSYYNO-AGEXMYHWSA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 12 |
Rotatable bonds | 11 |
Molecular weight (Da) | 887.4 |
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 | 6.95 | 6.95 | 6.95 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 7.32 | 7.32 | 7.32 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 6.25 | 6.25 | 6.25 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 8.29 | 8.29 | 8.29 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 8.49 | 8.49 | 8.49 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.57 | 6.57 | 6.57 | ChEMBL |