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Compound Detail

CHEMBL2323902

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Cc1ccc2c(Sc3cc(Cl)cc(Cl)c3)c(CCC(N)=O)[nH]c2c1

Basic Information

ChEMBL ID CHEMBL2323902
Phase Preclinical
Structure Type MOL
InChI Key BUCMJAVKKILLJB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

379.3
MW (Da)
5.35
ALogP
2
HBA
2
HBD
58.9
PSA (Ų)
0.63
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16Cl2N2OS
MW 379.31
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.95

Activity Summary

IC50 2 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vaccinia virus
CHEMBL613493
IC50 7.38 7.38 42.0 1
Uracil-DNA glycosylase
CHEMBL3988595
IC50 6.61 6.61 244.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23527789 10.1021/jm301735k Unchecked 5
23527789 10.1021/jm301735k Vaccinia virus 3
23527789 10.1021/jm301735k BSC-1 1

Data from ChEMBL 36 via Core Engine