Compound Detail
CHEMBL458064
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Basic Information
| ChEMBL ID | CHEMBL458064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQJMULDOPNMGJD-JAIQZWGSSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.4
MW (Da)
3.38
ALogP
6
HBA
1
HBD
85.6
PSA (Ų)
0.30
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.36
EC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.36 | 6.265 | 440.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.46 | 4.46 | 34800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 440.0 | nM | 6.36 | Inhibition of recombinant HIV1 integrase strand transfer activity by gel-based a... | 18646746 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 670.0 | nM | 6.17 | Inhibition of recombinant HIV1 integrase strand transfer activity by high throug... | 18646746 |
| Human immunodeficiency virus 1 | EC50 | = | 34800.0 | nM | 4.46 | Antiviral activity against HIV1-infected in human H9/HTLV 3B cells after 4 days | 18646746 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18646746 | 10.1021/jm8001422 | Human immunodeficiency virus type 1 integrase | 4 |
| 18646746 | 10.1021/jm8001422 | Human immunodeficiency virus 1 | 1 |
| 18646746 | 10.1021/jm8001422 | U-937 | 1 |
| 18646746 | 10.1021/jm8001422 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine