CHEMBL2070248
SMILES | CCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCC)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O |
InChIKey | BINHUIMAVHQSOM-QPGYUNECSA-N |
Chemical properties
Hydrogen bond acceptors | 16 |
Hydrogen bond donors | 18 |
Rotatable bonds | 39 |
Molecular weight (Da) | 1494.9 |
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 |
MC1 | MSHR | Human | Melanocortin | A | pKi | 6.89 | 6.89 | 6.89 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pKi | 8.52 | 8.52 | 8.52 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 9.48 | 9.48 | 9.48 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 9.0 | 9.0 | 9.0 | ChEMBL |