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Compound Detail

CHEMBL492711

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Cc1cc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n2ncnc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492711
Phase Preclinical
Structure Type MOL
InChI Key YKLOXZMEVISSJN-UHFFFAOYSA-N

Known Names

DSM-126
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
1
Known Names

Molecular Properties

361.2
MW (Da)
4.21
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.69
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 C14H9F6N5
MW 361.25
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.02

Literature References

PubMed DOI Target Context # Activities
19296651 10.1021/jm801343r Plasmodium berghei 1
19296651 10.1021/jm801343r Dihydroorotate dehydrogenase (quinone), mitochondrial 1
19296651 10.1021/jm801343r Plasmodium falciparum 1
19296651 10.1021/jm801343r Dihydroorotate dehydrogenase 1

Data from ChEMBL 36 via Core Engine