CHEMBL3577987
SMILES | C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O |
InChIKey | MCWLVPXLYJOXFN-JHQNEBCVSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 10 |
Rotatable bonds | 12 |
Molecular weight (Da) | 1026.5 |
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 |
MC3 | MC3R | Mouse | Melanocortin | A | pKd | 6.0 | 6.0 | 6.0 | ChEMBL |
MC3 | MC3R | Mouse | Melanocortin | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pKd | 7.0 | 7.0 | 7.0 | ChEMBL |
MC4 | MC4R | Mouse | Melanocortin | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Mouse | Melanocortin | A | pEC50 | 5.06 | 5.06 | 5.06 | ChEMBL |