Compound Detail
CHEMBL289429
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Basic Information
| ChEMBL ID | CHEMBL289429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZNNMUOCGWLGZDZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
2.53
ALogP
4
HBA
0
HBD
49.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.72 | 5.72 | 1900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of HIV-1 reverse transcriptase at 37 degree Centigrade | 11170624 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1900.0 | nM | 5.72 | In vitro inhibitory activity against human immunodeficiency virus type 1 (HIV-1)... | 1712395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1712395 | 10.1021/jm00111a045 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 12086483 | 10.1021/jm010580q | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 11170624 | 10.1021/jm000255n | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine