Compound Detail
CHEMBL498713
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Basic Information
| ChEMBL ID | CHEMBL498713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZYHJYRSCKCZKX-WSVATBPTSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
436.2
MW (Da)
4.20
ALogP
5
HBA
2
HBD
96.6
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.48
EC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.48 | 6.76 | 33.0 | 4 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 33.0 | nM | 7.48 | Inhibition of recombinant HIV1 integrase strand transfer activity by high throug... | 18646746 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 33.0 | nM | 7.48 | Inhibition of HIV-1 integrase assessed as inhibition of strand transfer activity... | 25961960 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 75.0 | nM | 7.12 | Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based a... | 18646746 |
| Human immunodeficiency virus 1 | EC50 | = | 3200.0 | nM | 5.5 | Antiviral activity against HIV1-infected in human H9/HTLV 3B cells after 4 days | 18646746 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of recombinant HIV1 integrase 3'-end processing activity by gel-based... | 18646746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18646746 | 10.1021/jm8001422 | Human immunodeficiency virus type 1 integrase | 5 |
| 25961960 | 10.1021/acs.jmedchem.5b00159 | Human immunodeficiency virus type 1 integrase | 2 |
| 18646746 | 10.1021/jm8001422 | Unchecked | 1 |
| 18646746 | 10.1021/jm8001422 | U-937 | 1 |
| 18646746 | 10.1021/jm8001422 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine