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Compound Detail

CHEMBL565153

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O=C1C=Cc2ccccc2/C1=C/NNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl

Basic Information

ChEMBL ID CHEMBL565153
Phase Preclinical
Structure Type MOL
InChI Key ZDKIDXNJJUMKII-XFXZXTDPSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

429.7
MW (Da)
4.07
ALogP
4
HBA
2
HBD
75.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H11Cl3N2O3S
MW 429.71
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.82

Activity Summary

IC50 2 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus type 1 reverse transcriptase
CHEMBL247
IC50 5.0 5.0 10000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22361685 10.1016/j.ejmech.2012.01.056 Human immunodeficiency virus type 1 reverse transcriptase 2
19447617 10.1016/j.bmcl.2009.04.138 HEL 1

Data from ChEMBL 36 via Core Engine