Compound Detail
CHEMBL147224
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 | CHEMBL147224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZHGRKTXAJFBDQR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
3.70
ALogP
4
HBA
1
HBD
61.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | IC50 | 6.75 | 5.9633 | 180.0 | 3 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3667 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | IC50 | = | 180.0 | nM | 6.75 | Concentration required to inhibit wild type RNA dependent DNA polymerase. | 8978855 |
| Nucleic Acid | IC50 | = | 1500.0 | nM | 5.82 | Concentration required to inhibit P236L type RNA dependent DNA polymerase. | 8978855 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3200.0 | nM | 5.5 | In vitro for inhibition of HIV-1 reverse transcriptase. | 8978855 |
| Nucleic Acid | IC50 | = | 4800.0 | nM | 5.32 | Concentration required to inhibit Y181C type RNA dependent DNA polymerase. | 8978855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978855 | 10.1021/jm960269m | Nucleic Acid | 3 |
| 8978855 | 10.1021/jm960269m | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 8978855 | 10.1021/jm960269m | Unchecked | 2 |
| 8978855 | 10.1021/jm960269m | Human immunodeficiency virus 1 | 1 |
| 8978855 | 10.1021/jm960269m | ADMET | 1 |
Data from ChEMBL 36 via Core Engine