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Compound Detail

CHEMBL489063

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CN(C)c1ccc(/C=N/Cc2ccc(S(N)(=O)=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL489063
Phase Preclinical
Structure Type MOL
InChI Key GRIWGPDZQAWVIT-WOJGMQOQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
2.02
ALogP
4
HBA
1
HBD
75.8
PSA (Ų)
0.86
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 C16H19N3O2S
MW 317.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
18805693 10.1016/j.bmcl.2008.09.030 Unchecked 1
18805693 10.1016/j.bmcl.2008.09.030 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine