Compound Detail
CHEMBL35729
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Basic Information
| ChEMBL ID | CHEMBL35729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QCUXORFMMDLGEK-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.8
MW (Da)
3.65
ALogP
4
HBA
2
HBD
72.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 8.1 | 6.6667 | 8.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 8.0 | nM | 8.1 | Inhibitory effect on wild type HIV- 1 reverse transcriptase using rCdG as templa... | 9873380 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 500.0 | nM | 6.3 | Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutati... | 9873380 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2500.0 | nM | 5.6 | Inhibitory effect on recombinant HIV- 1 reverse transcriptase which has a mutati... | 9873380 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873380 | 10.1016/s0960-894x(98)00249-2 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 9873380 | 10.1016/s0960-894x(98)00249-2 | Human immunodeficiency virus 1 | 3 |
| 9873380 | 10.1016/s0960-894x(98)00249-2 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine