Compound Detail
CHEMBL417916
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Basic Information
| ChEMBL ID | CHEMBL417916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGBXPEBWNHODMP-UXBLZVDNSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
4.03
ALogP
5
HBA
1
HBD
54.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
EC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CEM-SS CHEMBL614548 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
| MT4 CHEMBL388 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CEM-SS | IC50 | = | 8.0 | nM | 8.1 | Effective concentration required to achieve 50% inhibition of HIV-1 multiplicati... | 9191961 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 80.0 | nM | 7.1 | Inhibitory concentration against HIV-1 reverse transcriptase | 9435895 |
| MT4 | IC50 | = | 80.0 | nM | 7.1 | Effective concentration required to achieve 50% inhibition of HIV-1 multiplicati... | 9191961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191961 | 10.1021/jm960765a | CEM-SS | 1 |
| 9191961 | 10.1021/jm960765a | MT4 | 1 |
| 9191961 | 10.1021/jm960765a | CCRF-CEM | 1 |
| 9435895 | 10.1021/jm970110p | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine