Compound Detail
CHEMBL125437
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Basic Information
| ChEMBL ID | CHEMBL125437 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZDZUVKYVPSQCK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
463.6
MW (Da)
3.88
ALogP
5
HBA
4
HBD
105.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.75 | 6.275 | 180.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 42.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 12.3 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 180.0 | nM | 6.75 | In vitro inhibition of recombinant reverse transcriptase (WT) of HIV-1 IIIB | 8809165 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1600.0 | nM | 5.8 | In vitro inhibition of mutant Y181C recombinant reverse transcriptase of HIV-1 I... | 8809165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8809165 | 10.1021/jm960158n | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 8809165 | 10.1021/jm960158n | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine