Compound Detail

CHEMBL1081214

SUCCINYLPODOPHYLLOTOXIN

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COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)CCC(=O)O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1081214
Name	SUCCINYLPODOPHYLLOTOXIN
Phase	Preclinical
Structure Type	MOL
InChI Key	FQGIDCZRZSKLJZ-LXFAFOKJSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

514.5

MW (Da)

2.82

ALogP

HBA

HBD

136.1

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.12

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HEK293 CHEMBL614818	IC50	7.12	7.12	76.0	1
Raji CHEMBL614628	IC50	7.0	7.0	100.0	1
HepG2 CHEMBL395	IC50	6.77	6.77	170.0	1

Parameter	Value	Units	Species
T1/2	24.0	hr	-
t1/2	-	-	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HEK293	IC50	=	76.0	nM	7.12	Cytotoxicity against HEK293 cells after 72 hrs by luminescence assay	20129783
Raji	IC50	=	100.0	nM	7.0	Cytotoxicity against human Raji cells after 72 hrs by luminescence assay	20129783
HepG2	IC50	=	170.0	nM	6.77	Cytotoxicity against human HepG2 cells after 72 hrs by luminescence assay	20129783

PubMed	DOI	Target Context	# Activities
20129783	10.1016/j.bmcl.2010.01.009	Unchecked	5
20129783	10.1016/j.bmcl.2010.01.009	ADMET	4
20129783	10.1016/j.bmcl.2010.01.009	No relevant target	1
20129783	10.1016/j.bmcl.2010.01.009	HEK293	1
20129783	10.1016/j.bmcl.2010.01.009	Raji	1
20129783	10.1016/j.bmcl.2010.01.009	Trypanosoma brucei brucei	1
20129783	10.1016/j.bmcl.2010.01.009	HepG2	1
20129783	10.1016/j.bmcl.2010.01.009	BJ	1
20129783	10.1016/j.bmcl.2010.01.009	Prostaglandin G/H synthase 1	1
20129783	10.1016/j.bmcl.2010.01.009	Prostaglandin G/H synthase 2	1
20129783	10.1016/j.bmcl.2010.01.009	Mus musculus	1

Data from ChEMBL 36 via Core Engine