Compound Detail
CHEMBL431868
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Basic Information
| ChEMBL ID | CHEMBL431868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBQRWGFDOQHQBI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
428.6
MW (Da)
6.02
ALogP
5
HBA
1
HBD
63.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.34 | 6.025 | 46.0 | 2 |
| MT4 CHEMBL388 | IC50 | 4.66 | 4.66 | 22000.0 | 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 | = | 46.0 | nM | 7.34 | Concentration required to protect the cell against HIV-1 strain IIIB viral cytop... | 15149669 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 19600.0 | nM | 4.71 | Inhibitory concentration against SO561945 (HIV 1 mutant RT) viral infection of M... | 15149669 |
| MT4 | IC50 | = | 22000.0 | nM | 4.66 | Concentration required to protect the cell against HIV-2 strain ROD viral cytopa... | 15149669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149669 | 10.1016/j.bmcl.2004.04.008 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 15149669 | 10.1016/j.bmcl.2004.04.008 | MT4 | 2 |
Data from ChEMBL 36 via Core Engine