CHEMBL2070252
SMILES | CCCC[C@H](NC(=O)[C@H](CNC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)CNC(=O)COCCOCCNC(=O)CCCCCCCCCCCCCCCc1nnn[nH]1)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 | BEGFBZSFSWOZDK-UVBMYVOISA-N |
Chemical properties
Hydrogen bond acceptors | 26 |
Hydrogen bond donors | 24 |
Rotatable bonds | 58 |
Molecular weight (Da) | 1960.1 |
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 | 6.57 | 6.57 | 6.57 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pKi | 8.47 | 8.47 | 8.47 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 7.89 | 7.89 | 7.89 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 9.59 | 9.59 | 9.59 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.82 | 7.82 | 7.82 | ChEMBL |