Compound Detail
CHEMBL4287587
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Basic Information
| ChEMBL ID | CHEMBL4287587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXAGAFWODPZSHZ-YRNVUSSQSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
1.48
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.03 | 4.7925 | 9350.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 9350.0 | nM | 5.03 | Inhibition of HIV1 reverse transcriptase RNase H activity using 18-nucleotide 3'... | 30108947 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 10960.0 | nM | 4.96 | Inhibition of HIV1 group M subtype B reverse transcriptase p66 R448A mutant RNas... | 30108947 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 20540.0 | nM | 4.69 | Inhibition of HIV1 group M subtype B reverse transcriptase p66 R557A mutant RNas... | 30108947 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 32520.0 | nM | 4.49 | Inhibition of HIV1 group M subtype B reverse transcriptase p66 A502F mutant RNas... | 30108947 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108947 | 10.1039/C7MD00600D | Human immunodeficiency virus type 1 reverse transcriptase | 5 |
| 30108947 | 10.1039/C7MD00600D | Unchecked | 4 |
| 30108947 | 10.1039/C7MD00600D | No relevant target | 1 |
| 30108947 | 10.1039/C7MD00600D | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine