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Compound Detail

CHEMBL5180390

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O=C(Nc1ccc2[nH]ccc2c1)c1c(O)nn2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5180390
Phase Preclinical
Structure Type MOL
InChI Key KJYSLOCSHRXONG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
2.77
ALogP
4
HBA
3
HBD
82.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N4O2
MW 292.30
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
36162075 10.1021/acs.jmedchem.2c00496 Dihydroorotate dehydrogenase (quinone), mitochondrial 1
36162075 10.1021/acs.jmedchem.2c00496 No relevant target 1

Data from ChEMBL 36 via Core Engine