CHEMBL1800358 [126255]
CHEMBL1800358
| SMILES | CN1CCN(C(=O)c2cccc(-c3nc(N)nc(-c4ccccc4O)n3)c2)CC1 |
| InChIKey | SENKKHIKGQSFKC-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 3 |
| Log P | 1.881 |
| Molecular weight (Da) | 390.2 |
| Stereochemistry info | unspecified |
Database connections
| Ligand site mutations | A2A |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
CHEMBL1800358
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0
Database connections
| Ligand site mutations | A2A |