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Compound Detail

CHEMBL3633898

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Oc1cccc2ccc(F)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3633898
Phase Preclinical
Structure Type MOL
InChI Key WCXGTOXVYJAQHV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

163.2
MW (Da)
2.08
ALogP
2
HBA
1
HBD
33.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H6FNO
MW 163.15
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
26396692 10.1021/acsmedchemlett.5b00281 SH-SY5Y 3
26396692 10.1021/acsmedchemlett.5b00281 Unchecked 1

Data from ChEMBL 36 via Core Engine