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Compound Detail

CHEMBL3623562

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CC(C)n1cc(C(=O)CF)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3623562
Phase Preclinical
Structure Type MOL
InChI Key FBYSAQUXVSAHSO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

170.2
MW (Da)
1.62
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.65
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 C8H11FN2O
MW 170.19
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
26386602 10.1016/j.bmcl.2015.09.019 Acetylcholinesterase 4
26386602 10.1016/j.bmcl.2015.09.019 Unchecked 2
26386602 10.1016/j.bmcl.2015.09.019 Anopheles gambiae 1

Data from ChEMBL 36 via Core Engine