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Compound Detail

CHEMBL396295

2-METHOXYBENZALDEHYDE
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Basic Information

ChEMBL ID CHEMBL396295
Name 2-METHOXYBENZALDEHYDE
Phase Preclinical
Structure Type MOL
InChI Key PKZJLOCLABXVMC-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

136.2
MW (Da)
1.51
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C8H8O2
MW 136.15
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.17

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
26986086 10.1016/j.ejmech.2016.03.008 Unchecked 11
23379671 10.1021/jf305164m Collagen 3
17258462 10.1016/j.bmc.2006.12.038 Unchecked 2
23379671 10.1021/jf305164m Meloidogyne incognita 2
26986086 10.1016/j.ejmech.2016.03.008 No relevant target 1
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 1
31097402 10.1016/j.bmc.2019.05.001 Sodium- and chloride-dependent GABA transporter 1 1
30376325 10.1021/acs.jmedchem.8b01602 Sodium- and chloride-dependent GABA transporter 1 1
30777661 10.1016/j.bmc.2019.02.015 Sodium- and chloride-dependent GABA transporter 1 1

Data from ChEMBL 36 via Core Engine