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Compound Detail

CHEMBL371024

CUDRAXANTHONE M
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CC(C)=CCc1c(O)c(O)cc2c(=O)c3c(O)c4c(cc3oc12)OC(C)C4(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL371024
Name CUDRAXANTHONE M
Phase Preclinical
Structure Type MOL
InChI Key ZYJVDWWKUSJAQY-UHFFFAOYSA-N
6
Targets
10
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
4.63
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.33
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 C23H24O6
MW 396.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 2.61

Activity Summary

IC50 8 meas. best 6.73
Ki 2 meas. best 7.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sialidase
CHEMBL5189
 Ki 7.01 6.65 98.0 2
Sialidase
CHEMBL5189
 IC50 6.73 6.73 186.0 1
Plasma
CHEMBL613652
 IC50 5.66 5.66 2200.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.98 4.98 10400.0 1
Radical scavenging activity
CHEMBL613712
 IC50 4.98 4.6433 10400.0 3
Sterol O-acyltransferase 2
CHEMBL4465
 IC50 4.63 4.63 23200.0 1
Sterol O-acyltransferase 1
CHEMBL2782
 IC50 4.25 4.25 56800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sialidase Ki = 98.0 nM 7.01 Competitive inhibition of Clostridium perfringens neuraminidase by Lineweaver-Bu... 19285413
Sialidase IC50 = 186.0 nM 6.73 Inhibition of Clostridium perfringens neuraminidase by fluorimetry 19285413
Sialidase Ki = 510.1 nM 6.29 Apparent binding affinity at Clostridium perfringens neuraminidase by fluorimetr... 19285413
Plasma IC50 = 2200.0 nM 5.66 Antioxidant activity against human plasma LDL oxidation by TBARS assay 16919944
Radical scavenging activity IC50 = 10400.0 nM 4.98 DPPH radical scavenging activity of Cudriana tricuspidata extracts 16203143
NON-PROTEIN TARGET IC50 = 10400.0 nM 4.98 Antiproliferative activity against rat HSC-T6 cells assessed as reduction in cel... 25322455
Sterol O-acyltransferase 2 IC50 = 23200.0 nM 4.63 Inhibition of human ACAT2 expressed in Hi5 cells 16919944
Radical scavenging activity IC50 = 26000.0 nM 4.58 Superoxide radical scavenging activity of Cudriana tricuspidata extracts 16203143
Radical scavenging activity IC50 = 42600.0 nM 4.37 Hydroxyl radical scavenging activity of Cudriana tricuspidata extracts 16203143
Sterol O-acyltransferase 1 IC50 = 56800.0 nM 4.25 Inhibition of human ACAT1 expressed in Hi5 cells 16919944

Literature References

PubMed DOI Target Context # Activities
19285413 10.1016/j.bmc.2009.02.042 Sialidase 4
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
17950599 10.1016/j.bmcl.2007.10.007 Unchecked 1
25322455 10.1021/np5002797 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine