Compound Detail

CHEMBL602387

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL602387
Phase	Preclinical
Structure Type	MOL
InChI Key	ZJICALPJPGPPOI-FUPONGDBSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

536.8

MW (Da)

7.89

ALogP

HBA

HBD

64.3

PSA (Å²)

0.40

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.38

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HepG2 CHEMBL395	IC50	8.38	8.38	4.2	1
HeLa CHEMBL399	IC50	8.12	8.12	7.6	1
Jurkat CHEMBL397	IC50	7.79	7.79	16.3	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HepG2	IC50	=	4.2	nM	8.38	Cytotoxicity against human HepG2 cells after 72 hrs by MTT assay	19674909
HeLa	IC50	=	7.6	nM	8.12	Cytotoxicity against human HeLa cells after 72 hrs by MTT assay	19674909
Jurkat	IC50	=	16.3	nM	7.79	Cytotoxicity against human Jurkat cells after 72 hrs by XTT assay	19674909

PubMed	DOI	Target Context	# Activities
19674909	10.1016/j.bmc.2009.07.050	HepG2	2
19674909	10.1016/j.bmc.2009.07.050	Jurkat	2
19674909	10.1016/j.bmc.2009.07.050	HeLa	2
19674909	10.1016/j.bmc.2009.07.050	MCF7	1
19674909	10.1016/j.bmc.2009.07.050	A-375	1
19674909	10.1016/j.bmc.2009.07.050	HT-29	1
19674909	10.1016/j.bmc.2009.07.050	MIA PaCa-2	1
19674909	10.1016/j.bmc.2009.07.050	SH-SY5Y	1

Data from ChEMBL 36 via Core Engine