Compound Detail
CHEMBL418637
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Basic Information
| ChEMBL ID | CHEMBL418637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCJJJHWUTRNUQY-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
5.87
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.09
IC50 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 6.09 | 6.09 | 820.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.09 | 5.7225 | 820.0 | 4 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 820.0 | nM | 6.09 | Inhibition of HIV-1 reverse transcriptase. | 12723956 |
| Human immunodeficiency virus 1 | EC50 | = | 820.0 | nM | 6.09 | Antiviral activity against HIV1 infected CEM cells | 17663538 |
| Human immunodeficiency virus 1 | EC50 | = | 900.0 | nM | 6.05 | Antiviral activity against wild type HIV1 NL4-3 by cytopathic cell killing assay | 17663538 |
| Human immunodeficiency virus 1 | EC50 | = | 2480.0 | nM | 5.61 | Antiviral activity against HIV1 with RT L100I mutation by cytopathic cell killin... | 17663538 |
| Human immunodeficiency virus 1 | EC50 | = | 7180.0 | nM | 5.14 | Antiviral activity against HIV1 with RT Y181C mutation by cytopathic cell killin... | 17663538 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 17500.0 | nM | 4.76 | Inhibition of HIV1 NL4-3 reverse transcriptase | 17663538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17663538 | 10.1021/jm060103d | Human immunodeficiency virus 1 | 9 |
| 12723956 | 10.1021/jm020271f | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 17663538 | 10.1021/jm060103d | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 17663538 | 10.1021/jm060103d | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine