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Compound Detail

CHEMBL5169905

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Cc1cc(NC(=O)c2c(O)nn3ccccc23)c(OC2CCC2)cc1Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5169905
Phase Preclinical
Structure Type MOL
InChI Key QVQBWNMYCPRUJW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
5.32
ALogP
6
HBA
2
HBD
85.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N3O4
MW 429.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.90

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