CHEMBL360716
SMILES | CC(NC1CCCNC1)c1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 |
InChIKey | NKVAOVHVGQNSIX-CVZNUHMCSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 9 |
Molecular weight (Da) | 628.3 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pKi | 5.82 | 5.82 | 5.82 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pKi | 6.57 | 6.57 | 6.57 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 5.7 | 5.7 | 5.7 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 8.19 | 8.19 | 8.19 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 8.33 | 8.38 | 8.42 | ChEMBL |