compound 4g [PMID: 22220592] [2290]
compound 4g [PMID: 22220592]
| SMILES |
Cc1cc(-c2nnc(N)nc2-c2ccccc2)cc(C)n1 |
| InChIKey |
SORFNYWLKDSNNF-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors |
5 |
| Hydrogen bond donors |
1 |
| Rotatable bonds |
2 |
| Log P |
2.800 |
| Molecular weight (Da) |
277.1 |
| Stereochemistry info |
unspecified |
Database connections
|
|
| Structure pdb |
3UZA
|
| 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 |
|
|
|
|
|
|
|
|
|
|
compound 4g [PMID: 22220592]
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
|
|
| Structure pdb |
3UZA
|
| Ligand site mutations |
A2A
|
Compound is not listed as a drug.