Compound Detail
CHEMBL2407277
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2407277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUDUVHZHNJCFBG-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
360.8
MW (Da)
2.44
ALogP
5
HBA
2
HBD
95.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.7
EC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 7.7 | 6.6867 | 20.0 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.48 | 5.48 | 3340.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 4.78 | 4.78 | 16600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 20.0 | nM | 7.7 | Inhibition of HIV1 integrase overall inhibition using 5'-digoxigenin-labeled 5'-... | 24900718 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 277.0 | nM | 6.56 | Inhibition of strand transfer activity of HIV1 integrase using pre-cleaved oligo... | 24900718 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 1580.0 | nM | 5.8 | Inhibition of 3'-processing activity of HIV1 integrase using 32P-5'-TGTGGAAAATCT... | 24900718 |
| Human immunodeficiency virus 1 | EC50 | = | 3340.0 | nM | 5.48 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as inhib... | 24900718 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 16600.0 | nM | 4.78 | Inhibition of HIV1 recombinant reverse transcriptase RNase H activity after 10 m... | 24900718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900718 | 10.1021/ml400009t | Human immunodeficiency virus type 1 integrase | 5 |
| 24900718 | 10.1021/ml400009t | ADMET | 1 |
| 24900718 | 10.1021/ml400009t | MT4 | 1 |
| 24900718 | 10.1021/ml400009t | Human immunodeficiency virus 1 | 1 |
| 24900718 | 10.1021/ml400009t | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
Data from ChEMBL 36 via Core Engine