CHEMBL2113037
SMILES | COc1ccc(N2N=C(Sc3ccc(Cl)cc3)CC(CC[C@@H](C)NC(=O)[C@H]3CNCC[C@@H]3c3ccc(F)cc3)C2=O)cc1 |
InChIKey | RBKDACLJKAMLFN-SRZPCRBBSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 622.2 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pIC50 | 6.64 | 6.64 | 6.64 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 5.62 | 5.62 | 5.62 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 6.38 | 6.38 | 6.38 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.41 | 6.91 | 7.4 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.58 | 8.41 | 8.82 | ChEMBL |