CHEMBL209622
SMILES | NC(=O)C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](OCc2ccc3ccccc3c2)C[C@@H]1CCCN=C(N)N |
InChIKey | MNJTTYMJKZNPFK-LAJGZZDBSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 5 |
Rotatable bonds | 14 |
Molecular weight (Da) | 587.3 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pKi | 6.99 | 6.99 | 6.99 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 6.73 | 6.73 | 6.73 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 8.37 | 8.37 | 8.37 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 8.1 | 8.1 | 8.1 | ChEMBL |