TIM-38
SMILES | [O-][N+](=O)C1=Cc2ccccc2OC1C(F)(F)F |
InChIKey | BGTJUOYBNMSGRC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 1 |
Molecular weight (Da) | 245.0 |
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 |
P2Y6 | P2RY6 | Human | P2Y | A | pIC50 | 5.37 | 5.37 | 5.37 | Guide to Pharmacology |
P2Y6 | P2RY6 | Human | P2Y | A | pIC50 | 5.37 | 5.48 | 5.54 | ChEMBL |