CHEMBL3601428
SMILES | CCCC[C@@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)N(C)C(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2cnc[nH]2)N(C)C1=O |
InChIKey | RVVLJWZWXHPMLS-BSIOEMLPSA-N |
Chemical properties
Hydrogen bond acceptors | 11 |
Hydrogen bond donors | 10 |
Rotatable bonds | 17 |
Molecular weight (Da) | 1129.6 |
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 | 8.0 | 8.03 | 8.06 | ChEMBL |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 7.58 | 7.64 | 7.7 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 8.09 | 8.09 | 8.09 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 9.1 | 9.1 | 9.1 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 6.49 | 6.49 | 6.49 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 9.3 | 9.3 | 9.3 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.17 | 7.17 | 7.17 | ChEMBL |