Compound Detail
CHEMBL39343
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Basic Information
| ChEMBL ID | CHEMBL39343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEBABOMFNCVZGF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
1.84
ALogP
5
HBA
2
HBD
78.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.52 | 5.52 | 3000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of HIV-1 reverse transcriptase at 37 degree Centigrade | 11170624 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3000.0 | nM | 5.52 | In vitro inhibitory activity against human immunodeficiency virus type 1 (HIV-1)... | 1712395 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3000.0 | nM | 5.52 | Compound was evaluated for inhibition of WT HIV type I reverse transcriptase. | 7490733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490733 | 10.1021/jm00024a011 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 1712395 | 10.1021/jm00111a045 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 12086483 | 10.1021/jm010580q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 11170624 | 10.1021/jm000255n | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 32065749 | 10.1021/acs.jmedchem.9b01990 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine