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Compound Detail

CHEMBL54907

4-HYDROXY-6-METHYLPYRAN-2-ONE
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Cc1cc(O)cc(=O)o1

Basic Information

ChEMBL ID CHEMBL54907
Name 4-HYDROXY-6-METHYLPYRAN-2-ONE
Phase Preclinical
Structure Type MOL
InChI Key NSYSSMYQPLSPOD-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

126.1
MW (Da)
0.65
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H6O3
MW 126.11
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness 1.01

Activity Summary

Ki 3 meas.

Literature References

PubMed DOI Target Context # Activities
22925447 10.1016/j.bmc.2012.07.043 U-937 4
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
36481599 10.1016/j.ejmech.2022.114954 Unchecked 1
36481599 10.1016/j.ejmech.2022.114954 M-HeLa 1
36262388 10.1021/acsmedchemlett.2c00272 Histone deacetylase 2 1
34062253 10.1016/j.bmcl.2021.128161 Unchecked 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
4068006 10.1021/jm00150a013 No relevant target 1
11272821 10.1271/bbb.65.161 Rhizoctonia solani 1
11272821 10.1271/bbb.65.161 [Sclerotium] delphinii 1
22925447 10.1016/j.bmc.2012.07.043 No relevant target 1
4068006 10.1021/jm00150a013 Chymotrypsin-C 1
4068006 10.1021/jm00150a013 Chymotrypsin-like elastase family member 1 1
4068006 10.1021/jm00150a013 Neutrophil elastase 1

Data from ChEMBL 36 via Core Engine