CHEMBL3942822
SMILES | CCC(CC)CN1CC[C@H](CNC(=O)/C=C/c2ccc(Cl)cc2)N[C@H](CCN2CCCCC2)C1=O |
InChIKey | JKNVWNAMFUEANF-FWMRNDLCSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 11 |
Molecular weight (Da) | 502.3 |
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 | 4.7 | 4.7 | 4.7 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 6.82 | 6.82 | 6.82 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 4.7 | 4.7 | 4.7 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 5.74 | 5.74 | 5.74 | ChEMBL |