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Compound Detail

CHEMBL465155

PATULETIN
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COc1c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL465155
Name PATULETIN
Phase Preclinical
Structure Type MOL
InChI Key JMIFIYIEXODVTO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

332.3
MW (Da)
2.00
ALogP
8
HBA
5
HBD
140.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H12O8
MW 332.26
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 1.68

Literature References

PubMed DOI Target Context # Activities
21780738 10.1021/jf201611b Heterodera zeae 36
10650074 10.1021/np990271r HL-60 2
10650074 10.1021/np990271r Radical scavenging activity 1
15043421 10.1021/np034011s Cyclin-dependent kinase 5 1
21821414 10.1016/j.bmcl.2011.07.008 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine