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Compound Detail

CHEMBL363296

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O=S(=O)(O)c1cc(O)c(/N=N/c2ccc(O)cc2O)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363296
Phase Preclinical
Structure Type MOL
InChI Key JQBUVPRAKRZKRZ-ISLYRVAYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
3.62
ALogP
7
HBA
4
HBD
139.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O6S
MW 360.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.13

Activity Summary

IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase Pfmrk
CHEMBL4090
 IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein kinase Pfmrk IC50 = 11000.0 nM 4.96 Inhibition of Plasmodium falciparum cyclin-dependent kinase 15481979

Literature References

PubMed DOI Target Context # Activities
15481979 10.1021/jm040108f Protein kinase Pfmrk 1

Data from ChEMBL 36 via Core Engine