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Compound Detail

CHEMBL12636

HYMECROMONE METHYL ETHER
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COc1ccc2c(C)cc(=O)oc2c1

Basic Information

ChEMBL ID CHEMBL12636
Name HYMECROMONE METHYL ETHER
Phase Preclinical
Structure Type MOL
InChI Key UDFPKNSWSYBIHO-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

190.2
MW (Da)
2.11
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.65
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 C11H10O3
MW 190.20
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.17

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18060791 10.1016/j.bmc.2007.11.038 U-937 3
24681028 10.1016/j.ejmech.2014.03.029 NON-PROTEIN TARGET 2
3086557 10.1021/jm00156a031 Aldo-keto reductase family 1 member B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
28219011 10.1021/acs.jmedchem.6b01825 No relevant target 1
28219011 10.1021/acs.jmedchem.6b01825 Aldehyde dehydrogenase, dimeric NADP-preferring 1
28219011 10.1021/acs.jmedchem.6b01825 Aldehyde dehydrogenase 1A1 1
28219011 10.1021/acs.jmedchem.6b01825 Aldehyde dehydrogenase, mitochondrial 1
34375787 10.1016/j.ejmech.2021.113739 Unchecked 1

Data from ChEMBL 36 via Core Engine