CHEMBL4288909
SMILES | CCCC[C@H](NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |
InChIKey | GCCDXQSIABULHP-ZXYZSCNASA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 7 |
Rotatable bonds | 17 |
Molecular weight (Da) | 720.2 |
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 | 6.81 | 6.81 | 6.81 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 7.96 | 7.96 | 7.96 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 6.65 | 6.65 | 6.65 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 7.24 | 7.24 | 7.24 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 7.28 | 7.28 | 7.28 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.44 | 7.44 | 7.44 | ChEMBL |