CHEMBL257759
SMILES | CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(OC)cc2F)CC1 |
InChIKey | NCLQWDCIPKHQBS-LXQNXJGFSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 571.3 |
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 | Human | Melanocortin | A | pIC50 | 6.69 | 6.69 | 6.69 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 6.78 | 6.78 | 6.78 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 6.8 | 6.8 | 6.8 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 5.53 | 5.53 | 5.53 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 8.34 | 8.34 | 8.34 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.95 | 7.95 | 7.95 | ChEMBL |