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Compound Detail

CHEMBL263420

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CN(C)c1cccc2c(S(=O)(=O)Oc3cccc4c3C(=O)C=C(N3CC3)C4=O)cccc12

Basic Information

ChEMBL ID CHEMBL263420
Phase Preclinical
Structure Type MOL
InChI Key ARSDKZHSQCDMAX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
3.25
ALogP
7
HBA
0
HBD
83.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N2O5S
MW 448.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.43

Activity Summary

IC50 1 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.54 6.54 290.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 290.0 nM 6.54 In vitro antimalarial activity against human malaria parasite, P falciparum (Vie... 2033589

Literature References

PubMed DOI Target Context # Activities
2033589 10.1021/jm00109a016 Unchecked 1

Data from ChEMBL 36 via Core Engine