Compound Detail
CHEMBL323573
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Basic Information
| ChEMBL ID | CHEMBL323573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAHICYQJMLPTQF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.88
ALogP
6
HBA
1
HBD
89.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.7
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| MT4 CHEMBL388 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1800.0 | nM | 5.75 | Concentration required to inhibit the HIV-1 reverse transcriptase activity by 50... | 10052969 |
| MT4 | EC50 | = | 2000.0 | nM | 5.7 | Concentration required to achieve 50% protection of MT-4 cells from HIV-1-induce... | 10052969 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10052969 | 10.1021/jm980260f | MT4 | 3 |
| 12086483 | 10.1021/jm010580q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 10052969 | 10.1021/jm980260f | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine