Compound Detail
CHEMBL253369
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Basic Information
| ChEMBL ID | CHEMBL253369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRIOIFXUMMFCIQ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
398.3
MW (Da)
3.91
ALogP
3
HBA
2
HBD
46.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 8.22 | 7.835 | 6.0 | 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 | = | 6.0 | nM | 8.22 | Inhibition of HIV-1 reverse transcriptase using rCdG as template and dGTP as sub... | 8523406 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 6.0 | nM | 8.22 | Tested for the inhibition of wild type HIV-1 (IIIB) RT | 8863804 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 25.0 | nM | 7.6 | Tested for the inhibition of mutant type (Cys181) HIV-1 (IIIB) RT | 8863804 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 50.0 | nM | 7.3 | Tested for the inhibition of mutant type (Ile100) HIV-1 (IIIB) RT | 8863804 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863804 | 10.1021/jm950639r | MT4 | 5 |
| 8523406 | 10.1021/jm00025a010 | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 8863804 | 10.1021/jm950639r | Human immunodeficiency virus type 1 reverse transcriptase | 3 |
| 17307357 | 10.1016/j.bmcl.2007.01.103 | Human immunodeficiency virus 1 | 2 |
| - | 10.1007/s00044-007-9087-7 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine