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Compound Detail

CHEMBL3416641

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O=C1/C(=C/c2ccncc2)Oc2cc(O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3416641
Phase Preclinical
Structure Type MOL
InChI Key MJUFOAKHQUTODI-QPEQYQDCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

239.2
MW (Da)
2.40
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H9NO3
MW 239.23
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
25768702 10.1016/j.ejmech.2015.02.055 Acetylcholinesterase 1
25768702 10.1016/j.ejmech.2015.02.055 Cholinesterase 1

Data from ChEMBL 36 via Core Engine