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Compound Detail

CHEMBL4090801

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CCOc1ccc([C@]2(F)C[C@@H]2N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4090801
Phase Preclinical
Structure Type MOL
InChI Key LVSDTAZRPVJCHU-WDEREUQCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

195.2
MW (Da)
1.98
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.80
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 C11H14FNO
MW 195.24
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.39

Literature References

PubMed DOI Target Context # Activities
28390942 10.1016/j.bmcl.2017.03.081 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine