CHEMBL3421680
SMILES | CC(=O)N[C@H]1Cn2nncc2CN([C@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)C1=O |
InChIKey | BVHVEJVRGYHQTC-XFTNXAEASA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 8 |
Rotatable bonds | 15 |
Molecular weight (Da) | 698.3 |
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 | pEC50 | 6.12 | 6.12 | 6.12 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 6.86 | 6.86 | 6.86 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 7.26 | 7.26 | 7.26 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 6.7 | 6.7 | 6.7 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 6.69 | 6.69 | 6.69 | ChEMBL |