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Compound Detail

CHEMBL1087126

2'-METHOXYFORMONETIN
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COc1ccc(-c2coc3cc(O)ccc3c2=O)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1087126
Name 2'-METHOXYFORMONETIN
Phase Preclinical
Structure Type MOL
InChI Key SSRCYGATNWFTBJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

298.3
MW (Da)
3.18
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.80
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 C17H14O5
MW 298.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.72

Literature References

PubMed DOI Target Context # Activities
19928832 10.1021/np900676y T47D 4
19928832 10.1021/np900676y MCF7 4
23743282 10.1016/j.bmcl.2013.04.032 ADMET 1
23743282 10.1016/j.bmcl.2013.04.032 NON-PROTEIN TARGET 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