Compound Detail
CHEMBL97347
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Basic Information
| ChEMBL ID | CHEMBL97347 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZZBAINGKYKBHW-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
1.83
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.57
IC50 1 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | EC50 | 8.57 | 8.57 | 2.7 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.57 | 8.57 | 2.7 | 1 |
| ADMET CHEMBL612558 | EC50 | 8.57 | 8.57 | 2.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 2.7 | nM | 8.57 | Effective concentration required to achieve 50% protection of MT-4 cells against... | 7636846 |
| Human immunodeficiency virus type 1 reverse transcriptase | EC50 | = | 2.7 | nM | 8.57 | Inhibitory concentration against HIV-1 reverse transcriptase | 9435895 |
| Human immunodeficiency virus 1 | IC50 | = | 2.7 | nM | 8.57 | Concentration required to inhibit 50% viral production of human immunodeficiency... | 15801834 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636846 | 10.1021/jm00015a008 | ADMET | 1 |
| 7636846 | 10.1021/jm00015a008 | MT4 | 1 |
| 9435895 | 10.1021/jm970110p | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 15801834 | 10.1021/jm049606e | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine