Compound Detail
CHEMBL416107
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Basic Information
| ChEMBL ID | CHEMBL416107 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRXHKHXJYOIYON-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
4.33
ALogP
5
HBA
1
HBD
76.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.52 | 7.52 | 30.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| CEM-SS CHEMBL614548 | IC50 | 6.58 | 5.9 | 260.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 30.0 | nM | 7.52 | Tested for inhibitory concentration on HIV-1 Reverse transcriptase in the presen... | 11052800 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 30.0 | nM | 7.52 | Inhibition of HIV-1 reverse transcriptase (RT) | 7473595 |
| Human immunodeficiency virus 1 | IC50 | = | 260.0 | nM | 6.58 | Tested for inhibitory concentration on HIV-I nevirapine resistant strain. | 11052800 |
| CEM-SS | IC50 | = | 260.0 | nM | 6.58 | The compound was tested for inhibition of nevirapine HIV-1 resistant strain | 7473595 |
| CEM-SS | IC50 | = | 6000.0 | nM | 5.22 | Compound was evaluated for antiviral activity against CEM SS cells infected with... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473595 | 10.1021/jm00023a007 | CEM-SS | 4 |
| - | 10.1016/0960-894X(95)00584-G | CEM-SS | 2 |
| 11052800 | 10.1021/jm0009437 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 11052800 | 10.1021/jm0009437 | Human immunodeficiency virus 1 | 1 |
| 7473595 | 10.1021/jm00023a007 | Human immunodeficiency virus 1 | 1 |
| 7473595 | 10.1021/jm00023a007 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 7473595 | 10.1021/jm00023a007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine