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Compound Detail

CHEMBL43638

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Cc1c(-c2cccc3ccccc23)nc2ccc(F)cc2c1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL43638
Phase Preclinical
Structure Type MOL
InChI Key BBRPXWOVHGXDPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
5.20
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14FNO2
MW 331.35
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00252-O Dihydroorotate dehydrogenase (quinone), mitochondrial 1
- 10.1016/0960-894X(95)00252-O ADMET 1

Data from ChEMBL 36 via Core Engine