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Compound Detail

CHEMBL200429

CUDRAXANTHONE C
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C=CC(C)(C)c1c(O)cc(O)c2c(=O)c3c(CC=C(C)C)c(OC)c(O)cc3oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200429
Name CUDRAXANTHONE C
Phase Preclinical
Structure Type MOL
InChI Key ZTYHIXDBHBLOBX-UHFFFAOYSA-N
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
5.04
ALogP
6
HBA
3
HBD
100.1
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H26O6
MW 410.47
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness 2.51

Activity Summary

IC50 4 meas. best 4.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 2
CHEMBL4465
 IC50 4.72 4.72 19200.0 1
Sterol O-acyltransferase 1
CHEMBL2782
 IC50 4.7 4.7 20000.0 1
Radical scavenging activity
CHEMBL613712
 IC50 4.61 4.34 24300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sterol O-acyltransferase 2 IC50 = 19200.0 nM 4.72 Inhibition of human ACAT2 expressed in Hi5 cells 16919944
Sterol O-acyltransferase 1 IC50 = 20000.0 nM 4.7 Inhibition of human ACAT1 expressed in Hi5 cells 16919944
Radical scavenging activity IC50 = 24300.0 nM 4.61 Hydroxyl radical scavenging activity of Cudriana tricuspidata extracts 16203143
Radical scavenging activity IC50 = 85100.0 nM 4.07 Superoxide 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 Sterol O-acyltransferase 1 1
16919944 10.1016/j.bmcl.2006.08.032 Sterol O-acyltransferase 2 1
16919944 10.1016/j.bmcl.2006.08.032 Plasma 1
17608532 10.1021/np070059k Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine