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Compound Detail

CHEMBL2012828

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CN(C)C(=O)c1ccc(-n2cnc3ccccc32)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2012828
Phase Preclinical
Structure Type MOL
InChI Key SFNFFEZQUBMMPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.4
MW (Da)
2.79
ALogP
4
HBA
0
HBD
38.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N3OS
MW 271.35
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.73

Literature References

PubMed DOI Target Context # Activities
24900364 10.1021/ml200143c Plasmodium falciparum 2
24900364 10.1021/ml200143c Dihydroorotate dehydrogenase 1

Data from ChEMBL 36 via Core Engine