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Compound Detail

CHEMBL5185261

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O=C(Nc1ccc(Oc2ccccc2)cn1)c1c(O)nn2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5185261
Phase Preclinical
Structure Type MOL
InChI Key VHZSZQVRABINJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
3.48
ALogP
6
HBA
2
HBD
88.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N4O3
MW 346.35
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.52

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