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Compound Detail

CHEMBL39167

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Cc1c(CCCCc2ccccc2)nc2ccc(F)cc2c1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL39167
Phase Preclinical
Structure Type MOL
InChI Key SXTJZCJVYYJADE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
4.95
ALogP
2
HBA
1
HBD
50.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20FNO2
MW 337.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.62

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