CHEMBL237069
SMILES | COc1ccc(CN(C(=O)CCCc2c[nH]c3ccccc23)C2CCC(CC3CCC(N)CC3)CC2)cc1OC |
InChIKey | PASWAGSVYIKPCT-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 545.4 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Mouse | Melanocortin | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pKi | 5.08 | 5.08 | 5.08 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 4.66 | 4.66 | 4.66 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 5.43 | 5.43 | 5.43 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |