Compound Detail
CHEMBL254237
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Basic Information
| ChEMBL ID | CHEMBL254237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPASKBKRVYRRKP-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.4
MW (Da)
4.17
ALogP
4
HBA
2
HBD
55.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.75 | 6.2267 | 180.0 | 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 | = | 180.0 | nM | 6.75 | Tested for the inhibition of wild type HIV-1 (IIIB) RT | 8863804 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 707.0 | nM | 6.15 | Tested for the inhibition of mutant type (Cys181) HIV-1 (IIIB) RT | 8863804 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1650.0 | nM | 5.78 | Tested for the inhibition of mutant type (Ile100) HIV-1 (IIIB) RT | 8863804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863804 | 10.1021/jm950639r | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 8863804 | 10.1021/jm950639r | MT4 | 3 |
| 17307357 | 10.1016/j.bmcl.2007.01.103 | Human immunodeficiency virus 1 | 1 |
| - | 10.1007/s00044-007-9087-7 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine