Compound Detail
CHEMBL1270611
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
Basic Information
| ChEMBL ID | CHEMBL1270611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UPBLRJDHIONRBX-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.35
ALogP
5
HBA
2
HBD
81.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.35 | 7.35 | 45.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.35 | 6.0575 | 45.0 | 4 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 45.0 | nM | 7.35 | Inhibition of wild type HIV1 reverse transcriptase RNasH activity | 20869872 |
| Unchecked | IC50 | = | 45.0 | nM | 7.35 | Inhibition of HIV reverse transcriptase RNase H activity | 31324562 |
| Human immunodeficiency virus 1 | IC50 | = | 190.0 | nM | 6.72 | Antiviral activity against HIV1 HXB2 infected in human HeLaP4-2 cells assessed a... | 20869872 |
| Unchecked | IC50 | = | 410.0 | nM | 6.39 | Inhibition of XMRV RNaseH | 25089179 |
| Unchecked | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of hepatitis B virus genotype D RNaseH | 25089179 |
| Unchecked | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of HIV1 reverse transcriptase D443N mutant RNA-dependent DNA plymeras... | 20869872 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 24000.0 | nM | 4.62 | Inhibition of HIV1 integrase strand transfer activity | 20869872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20869872 | 10.1016/j.bmcl.2010.08.135 | Unchecked | 4 |
| 20869872 | 10.1016/j.bmcl.2010.08.135 | ADMET | 2 |
| 20869872 | 10.1016/j.bmcl.2010.08.135 | Human immunodeficiency virus 1 | 2 |
| 25089179 | 10.1039/c4md00055b | Unchecked | 2 |
| 20869872 | 10.1016/j.bmcl.2010.08.135 | Human immunodeficiency virus type 1 integrase | 1 |
| 20869872 | 10.1016/j.bmcl.2010.08.135 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 20869872 | 10.1016/j.bmcl.2010.08.135 | No relevant target | 1 |
| 20869872 | 10.1016/j.bmcl.2010.08.135 | MT4 | 1 |
| 25089179 | 10.1039/c4md00055b | Hepatitis B virus | 1 |
| 31324562 | 10.1016/j.bmc.2019.07.011 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine