Compound Detail
CHEMBL133052
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Basic Information
| ChEMBL ID | CHEMBL133052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRKQCTZCVDXZKW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
3.47
ALogP
5
HBA
0
HBD
70.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
| MT4 CHEMBL388 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 200.0 | nM | 6.7 | Antiviral activity against Human immunodeficiency virus 1 infected human MT4 cel... | - |
| MT4 | EC50 | = | 400.0 | nM | 6.4 | Dose required to achieve 50% protection of MT-4 cells from HIV-1(IIIB) induced c... | 9767646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9767646 | 10.1021/jm9802012 | MT4 | 2 |
| 9767646 | 10.1021/jm9802012 | Human immunodeficiency virus 1 | 1 |
| - | 10.1007/s00044-008-9145-9 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine