CHEMBL1209252
SMILES | CC(=O)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(C)C |
InChIKey | HQPISMGZXLHBTG-VXLAJHQFSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 7 |
Molecular weight (Da) | 560.4 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pIC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 6.05 | 6.05 | 6.05 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 5.55 | 5.55 | 5.55 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 6.18 | 6.18 | 6.18 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 5.19 | 5.19 | 5.19 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.3 | 7.45 | 7.6 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.54 | 7.54 | 7.55 | ChEMBL |