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Compound Detail

CHEMBL485792

2-METHOXYRESORCINOL
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COc1c(O)cccc1O

Basic Information

ChEMBL ID CHEMBL485792
Name 2-METHOXYRESORCINOL
Phase Preclinical
Structure Type MOL
InChI Key QFYYAIBEHOEZKC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

140.1
MW (Da)
1.11
ALogP
3
HBA
2
HBD
49.7
PSA (Ų)
0.61
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 C7H8O3
MW 140.14
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness 0.95

Activity Summary

EC50 1 meas. best 4.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Radical scavenging activity
CHEMBL613712
EC50 4.0 4.0 99600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Radical scavenging activity EC50 = 99600.0 nM 4.0 Antioxidant activity assessed as DPPH free radical scavenging activity 11076575

Literature References

PubMed DOI Target Context # Activities
11076575 10.1021/np0000421 Radical scavenging activity 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

Data from ChEMBL 36 via Core Engine