CHEMBL206018
SMILES | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC[C@H](Cc1ccc(Cl)cc1)NC(C)=O)Cc1ccc(F)cc1 |
InChIKey | LPQUOBDSZYZWCU-HPJPQFJGSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 6 |
Rotatable bonds | 19 |
Molecular weight (Da) | 757.4 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pKi | 4.91 | 4.91 | 4.91 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 6.67 | 6.67 | 6.67 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 4.74 | 4.74 | 4.74 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.71 | 6.71 | 6.71 | ChEMBL |