CHEMBL193749
SMILES | CCCn1c(SCc2cc([N+](=O)[O-])ccc2OC)nc2cc(NC(=O)NC(C)(C)C)ccc21 |
InChIKey | DGVKFHCGTRSOLE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 471.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
GnRH1 | GNRHR | Human | Gonadotrophin-releasing hormone | A | pIC50 | 7.75 | 7.75 | 7.75 | ChEMBL |
GnRH1 | GNRHR | Rat | Gonadotrophin-releasing hormone | A | pIC50 | 6.92 | 6.92 | 6.92 | ChEMBL |