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Compound Detail

CHEMBL108925

SALICYLADEHYDE
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Basic Information

ChEMBL ID CHEMBL108925
Name SALICYLADEHYDE
Phase Preclinical
Structure Type MOL
InChI Key SMQUZDBALVYZAC-UHFFFAOYSA-N
2
Targets
11
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

122.1
MW (Da)
1.20
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.57
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 C7H6O2
MW 122.12
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness 0.53

Activity Summary

IC50 11 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcription intermediary factor 1-alpha
CHEMBL3108638
 IC50 6.66 6.66 221.3 1
E3 ubiquitin-protein ligase TRIM33
CHEMBL2176772
 IC50 6.52 6.52 299.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transcription intermediary factor 1-alpha IC50 = 221.3 nM 6.66 Inhibition of recombinant TRIM24 (unknown origin) using biotinylated H3 peptide ... -
E3 ubiquitin-protein ligase TRIM33 IC50 = 299.4 nM 6.52 Inhibition of recombinant TRIM33 PHD bromodomain (unknown origin) using biotinyl... -

Literature References

PubMed DOI Target Context # Activities
26986086 10.1016/j.ejmech.2016.03.008 Unchecked 8
23379671 10.1021/jf305164m Meloidogyne incognita 5
6802973 10.1021/jm00345a016 No relevant target 3
23379671 10.1021/jf305164m Collagen 3
10888580 10.1021/jf9904160 Attelabidae 3
6802973 10.1021/jm00345a016 Bacillus subtilis 2
28734582 10.1016/j.bmcl.2017.07.019 ARPE-19 2
17602496 10.1021/jf070389a Thrips obscuratus 2
21476569 10.1021/jf200485k Tyrosinase 2
17258462 10.1016/j.bmc.2006.12.038 Unchecked 2
21476569 10.1021/jf200485k Unchecked 1
17602496 10.1021/jf070389a Thrips tabaci 1
21476569 10.1021/jf200485k Aldehyde oxidase 1 1
20813526 10.1016/j.bmcl.2010.08.018 Tyrosinase 1
19850474 10.1016/j.bmcl.2009.09.086 Fatty-acid amide hydrolase 1 1
24749861 10.1021/jm5002452 Serine/threonine-protein kinase/endoribonuclease IRE1 1
25278230 10.1016/j.bmcl.2014.09.028 No relevant target 1
26986086 10.1016/j.ejmech.2016.03.008 No relevant target 1
28197313 10.1021/acsmedchemlett.6b00417 Myeloperoxidase 1
14741268 10.1016/j.bmcl.2003.11.033 Tyrosinase 1

Data from ChEMBL 36 via Core Engine