Compound Detail
CHEMBL378856
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Basic Information
| ChEMBL ID | CHEMBL378856 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDNIWMWKAMOXLP-ZDUSSCGKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
2.73
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.7
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 2.0 | nM | 8.7 | Antiviral activity against HIV1 | 16782337 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2.0 | nM | 8.7 | Inhibition of HIV1 reverse transcriptase | 26708112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16782337 | 10.1016/j.bmcl.2006.05.073 | HEK293 | 1 |
| 16782337 | 10.1016/j.bmcl.2006.05.073 | Human immunodeficiency virus 1 | 1 |
| 26708112 | 10.1016/j.ejmech.2015.11.025 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine