Compound Detail
CHEMBL235067
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CCc1c(Cc2c(Cl)cccc2Cl)nc(SC/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c1=O
Basic Information
| ChEMBL ID | CHEMBL235067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLBQTUMSGVWBPN-SNAWJCMRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.4
MW (Da)
5.94
ALogP
5
HBA
1
HBD
88.9
PSA (Ų)
0.19
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 6.21 | 5.795 | 610.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 610.0 | nM | 6.21 | Antiviral activity against wild type HIV1 NL4-3 in MT4 cells after 5 days by MTT... | 18052319 |
| Human immunodeficiency virus 1 | EC50 | = | 4200.0 | nM | 5.38 | Antiviral activity against HIV1 with reverse transcriptase Y181C mutation in MT4... | 18052319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052319 | 10.1021/jm0708230 | Human immunodeficiency virus 1 | 4 |
| 18052319 | 10.1021/jm0708230 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 18052319 | 10.1021/jm0708230 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine