CHEMBL13910
SMILES | CCCC(=O)C1(c2ccccc2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](Cc2c[nH]cn2)NC(=O)c2ccccc2)CC1 |
InChIKey | LNJORQHQDHIPBT-CZNDPXEESA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 3 |
Rotatable bonds | 14 |
Molecular weight (Da) | 649.3 |
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 | 8.51 | 8.51 | 8.51 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 9.72 | 9.72 | 9.72 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 8.54 | 8.54 | 8.54 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 5.68 | 5.68 | 5.68 | ChEMBL |