Compound Detail
CHEMBL1958457
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 | CHEMBL1958457 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEERWEXPCFLRSM-KPKJPENVSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.09
ALogP
6
HBA
2
HBD
73.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.0 | 5.0 | 1000.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.28 | 5300.0 | 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 | = | 1000.0 | nM | 6.0 | Inhibition of RNA-dependent DNA polymerase activity of Human immunodeficiency vi... | 22361685 |
| Unchecked | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of Staphylococcus aureus UPPS-mediated condensation of FPP with IPP b... | 24827744 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of ribonuclease H activity of HIV1 reverse transcriptase using as pol... | 22361685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22361685 | 10.1016/j.ejmech.2012.01.056 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 24827744 | 10.1021/jm5004649 | Unchecked | 2 |
| 24827744 | 10.1021/jm5004649 | Bacillus subtilis | 1 |
| 24827744 | 10.1021/jm5004649 | Escherichia coli | 1 |
| 24827744 | 10.1021/jm5004649 | Saccharomyces cerevisiae | 1 |
Data from ChEMBL 36 via Core Engine