Compound Detail
CHEMBL114598
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Basic Information
| ChEMBL ID | CHEMBL114598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMRKJDSMUKZTBB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.2
MW (Da)
2.97
ALogP
3
HBA
2
HBD
50.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of recombinant reverse transcriptase (RT) in cell-free Quan-T-RT assa... | 10617082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10617082 | 10.1016/s0960-894x(99)00624-1 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
Data from ChEMBL 36 via Core Engine