CHEMBL1209320
SMILES | CC(C)N(CC(C1CCCCC1)N1CCN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)CC1)C(=O)c1cnn(C(C)C)c1 |
InChIKey | HLKCUDXXFULFRD-MCYVLLSASA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 654.4 |
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 | 6.14 | 6.14 | 6.14 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 6.28 | 6.28 | 6.28 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 6.06 | 6.06 | 6.06 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 7.1 | 7.1 | 7.1 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.21 | 7.48 | 7.75 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.72 | 7.96 | 8.19 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 6.21 | 6.21 | 6.21 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 6.0 | 6.0 | 6.0 | ChEMBL |