Compound Detail
CHEMBL26752
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Basic Information
| ChEMBL ID | CHEMBL26752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATCRIOJPQXDFNY-SSDOTTSWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
306.8
MW (Da)
3.71
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.6 | 7.335 | 25.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 25.0 | nM | 7.6 | Inhibitory activity against P236L mutant HIV-1 reverse transcriptase | 9554867 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 85.0 | nM | 7.07 | Inhibitory activity against wild type HIV-1 reverse transcriptase (WT-RT) | 9554867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9554867 | 10.1021/jm9801049 | Human immunodeficiency virus 1 | 7 |
| 9554867 | 10.1021/jm9801049 | Human immunodeficiency virus type 1 reverse transcriptase | 6 |
Data from ChEMBL 36 via Core Engine