compound 4 [PMID: 23083103] [2296]
compound 4 [PMID: 23083103]
| SMILES |
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(S)OP(=O)(O)C(Cl)P(=O)(O)OP(=O)(S)OCC2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@H]2O)[C@H](O)C1O |
| InChIKey |
SQXLFBVOQBYLCG-BUWSHSPFSA-N |
Chemical Properties
| Hydrogen bond acceptors |
24 |
| Hydrogen bond donors |
10 |
| Rotatable bonds |
14 |
| Log P |
0.104 |
| Molecular weight (Da) |
900.0 |
| Stereochemistry info |
partial |
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 4 [PMID: 23083103]
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
Compound is not listed as a drug.