Compound Detail
CHEMBL3415149
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Basic Information
| ChEMBL ID | CHEMBL3415149 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNGXMDMKJZQQCZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
454.3
MW (Da)
5.55
ALogP
7
HBA
1
HBD
94.6
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.4
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 4000.0 | nM | 5.4 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as reduc... | 25707013 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of HIV1 reverse transcriptase assessed as reduction in biotin-labeled... | 25707013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25707013 | 10.1016/j.ejmech.2015.02.022 | Human immunodeficiency virus 1 | 2 |
| 25707013 | 10.1016/j.ejmech.2015.02.022 | Unchecked | 2 |
| 25707013 | 10.1016/j.ejmech.2015.02.022 | MT4 | 1 |
| 25707013 | 10.1016/j.ejmech.2015.02.022 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 25707013 | 10.1016/j.ejmech.2015.02.022 | Human immunodeficiency virus 2 | 1 |
Data from ChEMBL 36 via Core Engine