Compound Detail

CHEMBL82303

PICROPODOPHYLLONE

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COc1cc([C@@H]2c3cc4c(cc3C(=O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL82303
Name	PICROPODOPHYLLONE
Phase	Preclinical
Structure Type	MOL
InChI Key	ISCQYPPCSYRZOT-MJXNMMHHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

412.4

MW (Da)

2.56

ALogP

HBA

HBD

89.5

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 4 meas. best 4.92

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HT-29 CHEMBL384	IC50	4.92	4.92	12000.0	1
P388 CHEMBL389	IC50	4.92	4.92	12000.0	1
A549 CHEMBL392	IC50	4.92	4.92	12000.0	1
CV-1 CHEMBL613507	IC50	4.32	4.32	48000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
P388	IC50	=	12000.0	nM	4.92	Antineoplastic activity against P-388 (murine leukemia) cell line.	-
A549	IC50	=	12000.0	nM	4.92	Antineoplastic activity against A-549 (human lung carcinoma) cell line.	-
HT-29	IC50	=	12000.0	nM	4.92	Antineoplastic activity against HT-29 (human colon carcinoma) cell line.	-
CV-1	IC50	=	48000.0	nM	4.32	Antineoplastic activity against CV-1 (monkey kidney fibroblast) cell line.	-

PubMed	DOI	Target Context	# Activities
22891988	10.1021/jf303069v	Mythimna separata	3
-	10.1016/0960-894X(95)00432-S	P388	1
-	10.1016/0960-894X(95)00432-S	A549	1
-	10.1016/0960-894X(95)00432-S	HT-29	1
-	10.1016/0960-894X(95)00432-S	CV-1	1

Data from ChEMBL 36 via Core Engine