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Compound Detail

CHEMBL1784560

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CCCCCCCCc1ccc(Nc2cc(C)nc3ncnn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1784560
Phase Preclinical
Structure Type MOL
InChI Key NNUQBILDUXPUIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

337.5
MW (Da)
5.08
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.55
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N5
MW 337.47
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
21517059 10.1021/jm200265b Plasmodium falciparum 1
21517059 10.1021/jm200265b Dihydroorotate dehydrogenase (quinone), mitochondrial 1
21517059 10.1021/jm200265b Unchecked 1
21517059 10.1021/jm200265b Dihydroorotate dehydrogenase 1

Data from ChEMBL 36 via Core Engine