CHEMBL5199932
SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](NC(C)=O)CSSC[C@@H](C(N)=O)NC1=O |
InChIKey | SGKSNHUSKUVYHG-HCOONLMZSA-N |
Chemical properties
Hydrogen bond acceptors | 15 |
Hydrogen bond donors | 14 |
Rotatable bonds | 15 |
Molecular weight (Da) | 1214.5 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 6.71 | 6.71 | 6.71 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pKi | 5.4 | 5.4 | 5.4 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pKi | 6.46 | 6.46 | 6.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
MC1 | MSHR | Human | Melanocortin | A | pEC50 | 8.06 | 8.06 | 8.06 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 4.95 | 4.95 | 4.95 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pEC50 | 7.4 | 7.4 | 7.4 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 7.22 | 7.22 | 7.22 | ChEMBL |