Compound Detail
CHEMBL329720
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Basic Information
| ChEMBL ID | CHEMBL329720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKSPCHATHZHOGY-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
4.20
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Kd 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 | 7.64 | 7.595 | 23.0 | 2 |
| ADMET CHEMBL612558 | Kd | 5.92 | 5.92 | 1210.0 | 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 | = | 23.0 | nM | 7.64 | Inhibitory activity against HIV-1 reverse transcriptase (RT) | 1716683 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 28.0 | nM | 7.55 | Tested for inhibition against HIV-1 RT (used (poly)rC-(oligo)dG as the template) | 7683054 |
| ADMET | Kd | = | 1210.0 | nM | 5.92 | Plasma equilibrium dissociation constant was determined | 7683054 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7683054 | 10.1021/jm00060a002 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 7683054 | 10.1021/jm00060a002 | ADMET | 2 |
| 1716683 | 10.1021/jm00113a036 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine