CHEMBL102688
SMILES | CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC1(C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1 |
InChIKey | MXPMNTOAZLMXKC-KUYBKGITSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 9 |
Rotatable bonds | 16 |
Molecular weight (Da) | 711.4 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC5 | MC5R | Mouse | Melanocortin | A | pEC50 | 5.68 | 6.13 | 6.58 | ChEMBL |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 5.24 | 5.44 | 5.63 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pEC50 | 5.15 | 5.45 | 5.75 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pEC50 | 5.0 | 5.05 | 5.11 | ChEMBL |