CHEMBL381357
SMILES | CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1Cc2ccccc2CN1 |
InChIKey | MCHDZFRIUNRJGL-GZXHTMMISA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 7 |
Rotatable bonds | 15 |
Molecular weight (Da) | 690.4 |
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 | Human | Melanocortin | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 5.79 | 5.79 | 5.79 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 8.0 | 8.0 | 8.0 | ChEMBL |