CHEMBL361883
SMILES | COc1ccc(-n2nc(Sc3ccc(Cl)cc3)cc(CC[C@@H](C)NC(=O)[C@H]3CCNC[C@@H]3c3ccc(F)cc3)c2=O)cc1 |
InChIKey | VLQGURFNWDTOFC-HAQLSYKPSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 620.2 |
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 | 5.92 | 5.92 | 5.92 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.18 | 7.18 | 7.18 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.96 | 6.96 | 6.96 | ChEMBL |