Compound Detail

CHEMBL221907

CUDRAFLAVONE B

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CC(C)=CCc1c(-c2ccc(O)cc2O)oc2cc3c(c(O)c2c1=O)C=CC(C)(C)O3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL221907
Name	CUDRAFLAVONE B
Phase	Preclinical
Structure Type	MOL
InChI Key	XIWCDUHPYMOFIL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

420.5

MW (Da)

5.27

ALogP

HBA

HBD

100.1

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 10 meas. best 5.82

EC50 3 meas. best 5.8

Ki 1 meas. best 4.97

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prostaglandin G/H synthase 1 CHEMBL2949	IC50	5.82	5.82	1500.0	1
Streptokinase A CHEMBL1293228	EC50	5.8	5.8	1580.0	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	5.75	5.75	1800.0	1
Prostaglandin G/H synthase 2 CHEMBL230	IC50	5.6	5.6	2500.0	1
Streptococcus sp. 'group A' CHEMBL612389	EC50	5.47	5.47	3359.0	1
Streptococcus CHEMBL612313	EC50	5.31	5.31	4937.0	1
Unchecked CHEMBL612545	IC50	4.99	4.99	10140.0	1
Unchecked CHEMBL612545	Ki	4.97	4.97	10820.0	1
Tyrosine-protein phosphatase non-receptor type 1 CHEMBL335	IC50	4.7	4.7	20000.0	1
Sterol O-acyltransferase 2 CHEMBL4465	IC50	4.38	4.38	41600.0	1
Plasma CHEMBL613652	IC50	4.33	4.33	46400.0	1
Amine oxidase [flavin-containing] A CHEMBL3681	IC50	4.1	4.1	80000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prostaglandin G/H synthase 1	IC50	=	1500.0	nM	5.82	Inhibition of ram seminal vesicle COX-1 assessed as PGE2 production from arachid...	21319773
Streptokinase A	EC50	=	1580.0	nM	5.8	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
NON-PROTEIN TARGET	IC50	=	1800.0	nM	5.75	Antioxidant activity assessed as hypochlorous acid scavenging activity by fluore...	23947936
Prostaglandin G/H synthase 2	IC50	=	2500.0	nM	5.6	Inhibition of human recombinant COX-2 assessed as PGE2 production from arachidon...	21319773
Streptococcus sp. 'group A'	EC50	=	3359.0	nM	5.47	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden...	-
Streptococcus	EC50	=	4937.0	nM	5.31	PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify...	-
Unchecked	IC50	=	10140.0	nM	4.99	Inhibition of Clostridium welchii neuraminidase	19660948
Unchecked	Ki	=	10820.0	nM	4.97	Noncompetitive inhibition of Clostridium welchii neuraminidase by Dixon plot	19660948
Tyrosine-protein phosphatase non-receptor type 1	IC50	=	20000.0	nM	4.7	Inhibition of recombinant PTP1B catalytic domain (unknown origin) assessed as re...	34279099
Sterol O-acyltransferase 2	IC50	=	41600.0	nM	4.38	Inhibition of human ACAT2 expressed in Hi5 cells	16919944
Plasma	IC50	=	46400.0	nM	4.33	Antioxidant activity against human plasma LDL oxidation by TBARS assay	16919944
Amine oxidase [flavin-containing] A	IC50	=	80000.0	nM	4.1	Inhibition at monoamine oxidase in mouse brain	17608532

PubMed	DOI	Target Context	# Activities
21319773	10.1021/np100638h	THP-1	9
16919944	10.1016/j.bmcl.2006.08.032	RAW	6
23947936	10.1021/np400242e	J774.A1	6
19660948	10.1016/j.bmcl.2009.07.098	Unchecked	3
23947936	10.1021/np400242e	NON-PROTEIN TARGET	3
34279099	10.1021/acs.jnatprod.1c00403	Tyrosine-protein phosphatase non-receptor type 1	2
24901948	10.1021/np401025f	NON-PROTEIN TARGET	2
21319773	10.1021/np100638h	RAW264.7	2
36062892	10.1021/acs.jnatprod.2c00658	Bacillus subtilis	1
16919944	10.1016/j.bmcl.2006.08.032	Plasma	1
31255927	10.1016/j.ejmech.2019.06.034	RAW264.7	1
25537111	10.1021/np500734t	AGS	1
24901948	10.1021/np401025f	Transcription factor p65	1
24901948	10.1021/np401025f	THP-1	1
23947936	10.1021/np400242e	Unchecked	1
21319773	10.1021/np100638h	Unchecked	1
21319773	10.1021/np100638h	Prostaglandin G/H synthase 1	1
21319773	10.1021/np100638h	Prostaglandin G/H synthase 2	1
17608532	10.1021/np070059k	Amine oxidase [flavin-containing] A	1
16919944	10.1016/j.bmcl.2006.08.032	Sterol O-acyltransferase 2	1

Data from ChEMBL 36 via Core Engine