Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL50458

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Oc1cc(Nc2cc(F)cc(F)c2)nc(O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50458
Phase Preclinical
Structure Type MOL
InChI Key OONHRUPRMSSJQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

239.2
MW (Da)
1.91
ALogP
5
HBA
3
HBD
78.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H7F2N3O2
MW 239.18
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
7752205 10.1021/jm00010a026 HEL 2

Data from ChEMBL 36 via Core Engine