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Compound Detail

CHEMBL4250127

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O=C(COc1cc(F)cc(F)c1)NO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4250127
Phase Preclinical
Structure Type MOL
InChI Key FQQLGLURNDNEMF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

203.1
MW (Da)
0.85
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H7F2NO3
MW 203.14
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.25

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
29983280 10.1016/j.bmc.2018.07.003 Urease subunit alpha/Urease subunit beta 2

Data from ChEMBL 36 via Core Engine