Compound Detail
CHEMBL590371
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=CCN(C)c1nc(N)nc2c1ncn2[C@H]1C[C@H](N=[N+]=[N-])[C@@H](CO)O1
Basic Information
| ChEMBL ID | CHEMBL590371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VIXNLUSEKBIURM-IVZWLZJFSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
0.99
ALogP
9
HBA
2
HBD
151.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.57
EC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Vero CHEMBL391 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 400.0 | nM | 6.4 | Antiviral activity against HIV1 LAI infected in human PBM cells after 5 days | 19948402 |
| CCRF-CEM | IC50 | = | 27000.0 | nM | 4.57 | Cytotoxicity against human CEM cells after 5 days | 19948402 |
| Vero | IC50 | = | 32000.0 | nM | 4.5 | Cytotoxicity against african green monkey Vero cells after 5 days | 19948402 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19948402 | 10.1016/j.bmcl.2009.11.031 | Human immunodeficiency virus 1 | 2 |
| 19948402 | 10.1016/j.bmcl.2009.11.031 | PBMC | 1 |
| 19948402 | 10.1016/j.bmcl.2009.11.031 | CCRF-CEM | 1 |
| 19948402 | 10.1016/j.bmcl.2009.11.031 | Vero | 1 |
Data from ChEMBL 36 via Core Engine