Compound Detail
CHEMBL1958256
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Basic Information
| ChEMBL ID | CHEMBL1958256 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTMMUBJPDWUYOG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
1
Known Names
Molecular Properties
314.4
MW (Da)
3.97
ALogP
6
HBA
3
HBD
74.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.68 | 4.615 | 21000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of ribonuclease H activity of HIV1 reverse transcriptase using as pol... | 22361685 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of RNA-dependent DNA polymerase activity of Human immunodeficiency vi... | 22361685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22361685 | 10.1016/j.ejmech.2012.01.056 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
Data from ChEMBL 36 via Core Engine