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Compound Detail

CHEMBL274424

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CS(=O)(=O)Oc1cccc(/C=N/N=C(\N)NO)c1.Cc1ccc(S(=O)(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL274424
Phase Preclinical
Structure Type MOL
InChI Key QUZYRBDJRZOVLT-ICSBZGNSSA-N
Parent Compound CHEMBL1182968
Active Moiety CHEMBL1182968
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
-0.35
ALogP
6
HBA
3
HBD
126.4
PSA (Ų)
0.30
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 C16H20N4O7S2
MW 444.49
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.89

Activity Summary

IC50 2 meas. best 4.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
IC50 4.83 4.83 14791.1 1
Rous sarcoma virus
CHEMBL614951
IC50 4.45 4.45 35481.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2991520 10.1021/jm00146a022 L1210 2
2991520 10.1021/jm00146a022 Rous sarcoma virus 2

Data from ChEMBL 36 via Core Engine