Compound Detail
CHEMBL58607
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 | CHEMBL58607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCTGKSHCZVWJBI-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
5.34
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.12
IC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 6.12 | 6.12 | 750.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 750.0 | nM | 6.12 | Inhibition of HIV-1 reverse transcriptase. | 12723956 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1600.0 | nM | 5.8 | The quantity of compound required to reduce WT Reverse transcriptase activity by... | 9435891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435891 | 10.1021/jm970096g | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 9435891 | 10.1021/jm970096g | CEM-SS | 1 |
| 12723956 | 10.1021/jm020271f | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine