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Compound Detail

CHEMBL1956490

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CNCc1nc2nc(C)cc(Nc3ccc(Cl)cc3)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1956490
Phase Preclinical
Structure Type MOL
InChI Key YAKGNAYRSASROD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

302.8
MW (Da)
2.55
ALogP
6
HBA
2
HBD
67.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15ClN6
MW 302.77
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.05

Literature References

PubMed DOI Target Context # Activities
21696174 10.1021/jm200592f Plasmodium falciparum 1
21696174 10.1021/jm200592f Dihydroorotate dehydrogenase (quinone), mitochondrial 1
21696174 10.1021/jm200592f Unchecked 1
21696174 10.1021/jm200592f Dihydroorotate dehydrogenase 1

Data from ChEMBL 36 via Core Engine