CHEMBL2111807
SMILES | CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@@H](CCC(=O)O)NC1=O |
InChIKey | TUEXZDIGHDGDGO-RAZSUPJJSA-N |
Chemical properties
Hydrogen bond acceptors | 22 |
Hydrogen bond donors | 16 |
Rotatable bonds | 33 |
Molecular weight (Da) | 1532.7 |
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 |
MC5 | MC5R | Human | Melanocortin | A | pEC50 | 6.72 | 6.72 | 6.72 | ChEMBL |
MC5 | MC5R | Human | Melanocortin | A | pIC50 | 6.75 | 6.75 | 6.75 | ChEMBL |
MC3 | MC3R | Human | Melanocortin | A | pIC50 | 6.89 | 6.89 | 6.89 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pEC50 | 8.21 | 8.21 | 8.21 | ChEMBL |
MC4 | MC4R | Human | Melanocortin | A | pIC50 | 8.47 | 8.47 | 8.47 | ChEMBL |