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Compound Detail

CHEMBL284093

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CS(=O)(=O)Oc1cccc2c1C(=O)C(N1CC1)=C(N1CC1)C2=O

Basic Information

ChEMBL ID CHEMBL284093
Phase Preclinical
Structure Type MOL
InChI Key UVOGLKBIISOVAT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
0.25
ALogP
7
HBA
0
HBD
83.5
PSA (Ų)
0.58
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 C15H14N2O5S
MW 334.35
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.15

Activity Summary

IC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.5 5.5 3200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 3200.0 nM 5.5 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 14
2033589 10.1021/jm00109a016 Unchecked 1
2738880 10.1021/jm00127a012 L1210 1

Data from ChEMBL 36 via Core Engine