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Compound Detail

CHEMBL1955870

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Cc1cc(Nc2cccc(Cl)c2)n2nc(CC3CC3)nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1955870
Phase Preclinical
Structure Type MOL
InChI Key QDCUHJSKHOWERV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

313.8
MW (Da)
3.78
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.80
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 C16H16ClN5
MW 313.79
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.16

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