CHEMBL387246
SMILES | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](N)Cc1ccccc1 |
InChIKey | GXWODOLKOXXRLR-DSITVLBTSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 6 |
Rotatable bonds | 13 |
Molecular weight (Da) | 531.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pKi | 5.36 | 5.36 | 5.36 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 4.65 | 4.65 | 4.65 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 4.7 | 4.7 | 4.7 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 4.7 | 4.7 | 4.7 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.09 | 6.09 | 6.09 | ChEMBL |