Compound Detail
CHEMBL203443
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Basic Information
| ChEMBL ID | CHEMBL203443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYFLJDZFSUYSQK-UHFFFAOYSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
405.8
MW (Da)
3.08
ALogP
5
HBA
2
HBD
88.8
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.05
EC50 3 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 8.05 | 8.045 | 8.9 | 4 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.77 | 7.735 | 17.0 | 2 |
| MT4 CHEMBL388 | EC50 | 7.77 | 7.77 | 17.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 9.0 | nM | 8.05 | Inhibition of HIV1 integrase strand transfer activity | 19719237 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 8.913 | nM | 8.05 | Inhibition of HIV-1 integrase | 20488589 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 9.1 | nM | 8.04 | Inhibition of recombinant HIV1 integrase strand transfer activity | 16509568 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 9.1 | nM | 8.04 | Inhibition of HIV1 integrase strand transfer activity | 18281931 |
| MT4 | EC50 | = | 17.1 | nM | 7.77 | Antiviral activity against HIV1 3b in human MT4 cells | 16509568 |
| Human immunodeficiency virus 1 | EC50 | = | 17.0 | nM | 7.77 | Antiviral activity against HIV1 in MT4 cells assessed as inhibition of viral-ind... | 18281931 |
| Human immunodeficiency virus 1 | EC50 | = | 20.0 | nM | 7.7 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 19719237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16509568 | 10.1021/jm0600139 | MT4 | 2 |
| 16509568 | 10.1021/jm0600139 | Human immunodeficiency virus type 1 integrase | 1 |
| 18281931 | 10.1021/jm070609b | Human immunodeficiency virus type 1 integrase | 1 |
| 18281931 | 10.1021/jm070609b | Human immunodeficiency virus 1 | 1 |
| 19719237 | 10.1021/jm900460z | Human immunodeficiency virus type 1 integrase | 1 |
| 19719237 | 10.1021/jm900460z | Human immunodeficiency virus 1 | 1 |
| 19719237 | 10.1021/jm900460z | MT4 | 1 |
| 20488589 | 10.1016/j.ejmech.2010.04.030 | Human immunodeficiency virus type 1 integrase | 1 |
| - | 10.1007/s00044-011-9593-5 | Human immunodeficiency virus type 1 integrase | 1 |
Data from ChEMBL 36 via Core Engine