CHEMBL368876
SMILES | CN1CCN[C@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC2)C1 |
InChIKey | YDGSHFJUSTYFRE-FTJBHMTQSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 557.4 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 6.46 | 6.46 | 6.46 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pIC50 | 5.77 | 5.77 | 5.77 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 4.89 | 5.25 | 5.62 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 5.72 | 5.72 | 5.72 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 5.64 | 5.8 | 5.96 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.8 | 7.99 | 8.22 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.8 | 7.96 | 8.15 | ChEMBL |