Compound Detail
CHEMBL390489
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Basic Information
| ChEMBL ID | CHEMBL390489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOEBXVRPPQGTQS-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
362.3
MW (Da)
3.12
ALogP
6
HBA
3
HBD
111.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
EC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of HIV1 integrase expressed in Escherichia coli BL21 (DE3) | 17608468 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of HIV1 reverse transcriptase | 17608468 |
| Human immunodeficiency virus 1 | EC50 | = | 3000.0 | nM | 5.52 | Antiviral activity against HIV1 NL4-3 in human PBMC | 17608468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17608468 | 10.1021/jm070512p | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 17608468 | 10.1021/jm070512p | Human immunodeficiency virus type 1 integrase | 1 |
| 17608468 | 10.1021/jm070512p | Human immunodeficiency virus 1 | 1 |
| 17608468 | 10.1021/jm070512p | PBMC | 1 |
| 17608468 | 10.1021/jm070512p | ADMET | 1 |
Data from ChEMBL 36 via Core Engine