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Compound Detail

CHEMBL2011279

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O=C(NC1CCCCC1)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011279
Phase Preclinical
Structure Type MOL
InChI Key NNIONFSOKOHXIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

195.2
MW (Da)
2.00
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.68
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 C8H12F3NO
MW 195.18
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
22165820 10.1021/jm201441k Beta-secretase 1 1

Data from ChEMBL 36 via Core Engine