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Compound Detail

CHEMBL1242926

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O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Oc1ccc2c(c1)CCCN2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1242926
Phase Preclinical
Structure Type MOL
InChI Key SXYAKSCRRITTGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.8
MW (Da)
5.33
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.75
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14ClF3N2O2
MW 370.76
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
20684567 10.1021/jm100573q Acetylcholinesterase 1
20684567 10.1021/jm100573q Mus musculus 1

Data from ChEMBL 36 via Core Engine