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Compound Detail

CHEMBL100179

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CN1CC=C(c2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL100179
Phase Preclinical
Structure Type MOL
InChI Key FYGWJEDFEJZMIC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

191.2
MW (Da)
2.54
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14FN
MW 191.25
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
8809158 10.1021/jm9603882 Amine oxidase [flavin-containing] B 3
8411009 10.1021/jm00072a012 Monoamine oxidase 1

Data from ChEMBL 36 via Core Engine