CHEMBL195110
SMILES | O=C(N[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CCN(c2ccccc2CNCCc2cccs2)CC1)N1CCCC1 |
InChIKey | VFJOTTZGMDRNPT-MUUNZHRXSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 10 |
Molecular weight (Da) | 613.2 |
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 |
MC5 | MC5R | Human | Melanocortin | A | pKi | 6.8 | 6.8 | 6.8 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 8.82 | 8.82 | 8.82 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pKi | 5.16 | 5.16 | 5.16 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |