Compound Detail
CHEMBL243619
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Basic Information
| ChEMBL ID | CHEMBL243619 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKOLNBKUBWORFA-SNAWJCMRSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
2.11
ALogP
6
HBA
5
HBD
118.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.58
EC50 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.53 | 4.53 | 29620.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 260.0 | nM | 6.58 | Inhibition of HIV1 His6-tagged integrase-human GST tagged LEDGF/p75 (373-442 res... | 23046280 |
| Human immunodeficiency virus 1 | EC50 | = | 29620.0 | nM | 4.53 | Antiviral activity against HIV-1 3B infected in C8166 cells assessed as virus-in... | 23046280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23046280 | 10.1021/jm301226a | Human immunodeficiency virus type 1 integrase | 2 |
| 17267225 | 10.1016/j.bmc.2007.01.017 | Tyrosinase | 1 |
| 23046280 | 10.1021/jm301226a | ADMET | 1 |
| 23046280 | 10.1021/jm301226a | C8166 | 1 |
| 23046280 | 10.1021/jm301226a | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine