CHEMBL365401
SMILES | CN1C[C@H]2CC[C@@H]1[C@@H](C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(C(=O)NC(C)(C)C)(C3CCCCC3)CC1)C2 |
InChIKey | ARFBDECCXOFCBN-BENTYHEHSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 582.4 |
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 |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 5.19 | 5.19 | 5.19 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 6.07 | 6.07 | 6.07 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.55 | 7.55 | 7.55 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.78 | 6.78 | 6.78 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 5.87 | 5.87 | 5.87 | ChEMBL |