Compound Detail
CHEMBL145049
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Basic Information
| ChEMBL ID | CHEMBL145049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YITDREASSSCOKM-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.95
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.22 | 6.54 | 60.0 | 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 | = | 60.0 | nM | 7.22 | Compound was evaluated for inhibition of WT HIV type I reverse transcriptase. | 7490733 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1370.0 | nM | 5.86 | Compound was evaluated for inhibition of Y181C HIV type I reverse transcriptase. | 7490733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7490733 | 10.1021/jm00024a011 | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
Data from ChEMBL 36 via Core Engine