Compound Detail
CHEMBL198425
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Basic Information
| ChEMBL ID | CHEMBL198425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEUVRNOGDFBELT-GIJQJNRQSA-N |
2
Targets
3
Activities
2
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
427.9
MW (Da)
4.78
ALogP
6
HBA
0
HBD
85.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.15
IC50 1 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.15 | 5.11 | 7100.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.007333 | hr | 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 | = | 750.0 | nM | 6.12 | Inhibition of recombinant HIV-1 reverse transcriptase activity | 16162014 |
| Human immunodeficiency virus 1 | EC50 | = | 7100.0 | nM | 5.15 | In vitro anti-HIV activity against HIV-1RF infected in CEM-SS cells using MTS cy... | 16162014 |
| Human immunodeficiency virus 1 | EC50 | = | 8550.0 | nM | 5.07 | In vitro anti-HIV activity against HIV-1 IIIB infected in MT-4 cells using MTT a... | 16162014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16162014 | 10.1021/jm050452s | Human immunodeficiency virus 1 | 2 |
| 16162014 | 10.1021/jm050452s | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 16162014 | 10.1021/jm050452s | Human immunodeficiency virus 2 | 1 |
| 16162014 | 10.1021/jm050452s | CEM-SS | 1 |
| 16162014 | 10.1021/jm050452s | MT4 | 1 |
| 16162014 | 10.1021/jm050452s | ADMET | 1 |
Data from ChEMBL 36 via Core Engine