CHEMBL1682209
SMILES | COCC(=O)N[C@H]1Cc2ccc(OC)c(c2)Cc2ccc(cc2)Oc2cccc(c2)CN(CCCN2CCN(CCCN)CC2)C1=O |
InChIKey | QXSMBSQHYONEJF-UMSFTDKQSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 643.4 |
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 |
MC3 | MC3R | Human | Melanocortin | A | pKi | 5.93 | 5.93 | 5.93 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 6.41 | 6.41 | 6.41 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pKi | 6.41 | 6.41 | 6.41 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 7.8 | 7.8 | 7.8 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.33 | 6.33 | 6.33 | ChEMBL |