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Compound Detail

CHEMBL225303

SYRINGALDEHYDE
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COc1cc(C=O)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225303
Name SYRINGALDEHYDE
Phase Preclinical
Structure Type MOL
InChI Key KCDXJAYRVLXPFO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

182.2
MW (Da)
1.22
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H10O4
MW 182.17
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.71

Activity Summary

IC50 2 meas. best 5.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
DNA
CHEMBL2364041
 IC50 5.02 5.02 9500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
DNA IC50 = 9500.0 nM 5.02 Antioxidant activity assessed as protection against AAPH-induced DNA damage in E... 29220795

Literature References

PubMed DOI Target Context # Activities
22880723 10.1021/np3003723 Rattus norvegicus 8
11000034 10.1021/np000084p Unchecked 4
11076549 10.1021/np0000318 Unchecked 4
11076549 10.1021/np0000318 Raji 4
29220795 10.1016/j.ejmech.2017.11.072 No relevant target 3
19822425 10.1016/j.bmcl.2009.09.088 NON-PROTEIN TARGET 2
16279782 10.1021/jm050567w L1210 2
30057155 10.1016/j.bmc.2018.07.025 HT-29 2
19822425 10.1016/j.bmcl.2009.09.088 Unchecked 1
30376325 10.1021/acs.jmedchem.8b01602 Sodium- and chloride-dependent GABA transporter 1 1
29220795 10.1016/j.ejmech.2017.11.072 DNA 1
30057155 10.1016/j.bmc.2018.07.025 Transcription factor p65 1
30057155 10.1016/j.bmc.2018.07.025 OVCAR-3 1
30057155 10.1016/j.bmc.2018.07.025 MDA-MB-435 1
30057155 10.1016/j.bmc.2018.07.025 MDA-MB-231 1
22880723 10.1021/np3003723 L6 1
19822425 10.1016/j.bmcl.2009.09.088 Radical scavenging activity 1
18986199 10.1021/np8004166 RAW264.7 1
18471021 10.1021/np800097t Mycobacterium tuberculosis 1
16180806 10.1021/np0580210 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine