CHEMBL342954
SMILES | O=C(N[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2CN1 |
InChIKey | HLCHESOMJVGDSJ-IHLOFXLRSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 588.3 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 9.31 | 9.31 | 9.31 | ChEMBL |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 6.58 | 6.58 | 6.58 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 9.05 | 9.05 | 9.05 | ChEMBL |