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Compound Detail

CHEMBL1956487

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Cc1cc(Nc2cccc(Cl)c2)n2[nH]c(=O)nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1956487
Phase Preclinical
Structure Type MOL
InChI Key ZRGOBIQYHCSAIL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

275.7
MW (Da)
2.12
ALogP
5
HBA
2
HBD
75.1
PSA (Ų)
0.75
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 C12H10ClN5O
MW 275.70
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.97

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