Compound Detail
CHEMBL286769
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Basic Information
| ChEMBL ID | CHEMBL286769 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYZFHCDOACNPPN-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
0.60
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 5.05 | 4.56 | 8900.0 | 2 |
| Human immunodeficiency virus CHEMBL613758 | EC50 | 4.07 | 4.07 | 85000.0 | 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 | = | 8900.0 | nM | 5.05 | Inhibitory concentration against HIV-1 reverse transcriptase | 9435895 |
| Human immunodeficiency virus | EC50 | = | 85000.0 | nM | 4.07 | Effective concentration required to achieve 50% protection of MT-4 cells against... | 1992136 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 85000.0 | nM | 4.07 | Inhibition of HIV-1 reverse transcriptase at 37 degree Centigrade | 11170624 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1992136 | 10.1021/jm00105a055 | MT4 | 2 |
| 12086483 | 10.1021/jm010580q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 1992136 | 10.1021/jm00105a055 | Human immunodeficiency virus | 1 |
| 11170624 | 10.1021/jm000255n | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 9435895 | 10.1021/jm970110p | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine