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Compound Detail

CHEMBL284304

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Cc1ccc(S(=O)(=O)Oc2cccc3c2C(=O)C=C(N2CC2)C3=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL284304
Phase Preclinical
Structure Type MOL
InChI Key SHPRMPJKKJCXBR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
2.34
ALogP
6
HBA
0
HBD
80.5
PSA (Ų)
0.61
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 C19H15NO5S
MW 369.40
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.24

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.7 6.7 200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 200.0 nM 6.7 In vitro antimalarial activity against human malaria parasite, P falciparum (Vie... 2033589

Literature References

PubMed DOI Target Context # Activities
2738880 10.1021/jm00127a012 Mus musculus 5
2738880 10.1021/jm00127a012 L1210 4
2033589 10.1021/jm00109a016 Unchecked 1

Data from ChEMBL 36 via Core Engine