Compound Detail
CHEMBL59226
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Basic Information
| ChEMBL ID | CHEMBL59226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDBLIKJYUHYRPZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
410.3
MW (Da)
4.68
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.82
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 1500.0 | nM | 5.82 | Concentration required to achieve 50% protection of MT-4 cells against the cytop... | - |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of HIV-1 recombinant reverse transcriptase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00340-5 | MT4 | 1 |
| - | 10.1016/S0960-894X(97)00340-5 | Human immunodeficiency virus 1 | 1 |
| - | 10.1016/S0960-894X(97)00340-5 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| - | 10.1016/S0960-894X(97)00340-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine