Compound Detail
CHEMBL3327158
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Basic Information
| ChEMBL ID | CHEMBL3327158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SYTOUTINFSMPIW-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
486.4
MW (Da)
2.52
ALogP
8
HBA
5
HBD
175.0
PSA (Ų)
0.23
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.68 | 5.54 | 2100.0 | 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 | = | 2100.0 | nM | 5.68 | Inhibition of wild type HIV1 reverse transcriptase E89T mutant assessed as inhib... | 25144111 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA... | 25144111 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of wild type HIV1 reverse transcriptase K65R mutant assessed as inhib... | 25144111 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of wild type HIV1 reverse transcriptase M184V mutant assessed as inhi... | 25144111 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25144111 | 10.1021/jm501010f | Human immunodeficiency virus type 1 reverse transcriptase | 7 |
| 25144111 | 10.1021/jm501010f | Farnesyl pyrophosphate synthase | 1 |
| 25144111 | 10.1021/jm501010f | Geranylgeranyl pyrophosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine