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Compound Detail

CHEMBL199304

ISOCUDRANIAXANTHONE B
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C=CC(C)(C)c1c(OC)cc(O)c2c(=O)c3ccc(O)c(O)c3oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL199304
Name ISOCUDRANIAXANTHONE B
Phase Preclinical
Structure Type MOL
InChI Key PELOBHLTYBBGDO-UHFFFAOYSA-N
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
3.54
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.38
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 C19H18O6
MW 342.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 1.91

Activity Summary

IC50 7 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasma
CHEMBL613652
 IC50 6.1 6.1 800.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.76 4.76 17300.0 1
Radical scavenging activity
CHEMBL613712
 IC50 4.53 4.515 29500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasma IC50 = 800.0 nM 6.1 Antioxidant activity against human plasma LDL oxidation by TBARS assay 16919944
NON-PROTEIN TARGET IC50 = 17300.0 nM 4.76 Antiproliferative activity against rat HSC-T6 cells assessed as reduction in cel... 25322455
Radical scavenging activity IC50 = 29500.0 nM 4.53 Superoxide radical scavenging activity of Cudriana tricuspidata extracts 16203143
Radical scavenging activity IC50 = 31800.0 nM 4.5 DPPH radical scavenging activity of Cudriana tricuspidata extracts 16203143

Literature References

PubMed DOI Target Context # Activities
16203143 10.1016/j.bmcl.2005.08.099 Radical scavenging activity 3
16203143 10.1016/j.bmcl.2005.08.099 HL-60 2
16203143 10.1016/j.bmcl.2005.08.099 HT-29 1
16203143 10.1016/j.bmcl.2005.08.099 SK-OV-3 1
16203143 10.1016/j.bmcl.2005.08.099 AGS 1
16203143 10.1016/j.bmcl.2005.08.099 A549 1
16919944 10.1016/j.bmcl.2006.08.032 Plasma 1
16919944 10.1016/j.bmcl.2006.08.032 Sterol O-acyltransferase 1 1
16919944 10.1016/j.bmcl.2006.08.032 Sterol O-acyltransferase 2 1
25322455 10.1021/np5002797 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine