Compound Detail
CHEMBL19464
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Basic Information
| ChEMBL ID | CHEMBL19464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKIPZTAZTLJESD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
2.50
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 10.0 | nM | 8.0 | Compound was tested for its ability to inhibit the strand transfer of the integr... | 12570367 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of HIV-1 integrase DTG-resistant R263K mutant | 37827528 |
| Human immunodeficiency virus 1 | IC50 | = | 100.0 | nM | 7.0 | Antiviral activity against HIV1 | 19112024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18316517 | 10.1128/aac.01361-07 | PBMC | 10 |
| 18316517 | 10.1128/aac.01361-07 | Human T-cell leukemia virus type I | 3 |
| 12570367 | 10.1021/jm025553u | MT4 | 2 |
| 11150161 | 10.1021/jm000176b | Human immunodeficiency virus type 1 integrase | 1 |
| 11150161 | 10.1021/jm000176b | Human immunodeficiency virus 1 | 1 |
| 14980666 | 10.1016/j.bmcl.2003.12.064 | Human immunodeficiency virus type 1 integrase | 1 |
| 12570367 | 10.1021/jm025553u | Human immunodeficiency virus type 1 integrase | 1 |
| 19112024 | 10.1016/j.bmc.2008.11.075 | Human immunodeficiency virus 1 | 1 |
| 37827528 | 10.1021/acs.jmedchem.3c01280 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine