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Compound Detail

CHEMBL4088315

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N[C@H]1C[C@@]1(F)c1cccc(S(F)(F)(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4088315
Phase Preclinical
Structure Type MOL
InChI Key WJYCFPMERRQQSG-DTWKUNHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

277.2
MW (Da)
4.24
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.80
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 C9H9F6NS
MW 277.23
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.04

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