Compound Detail

CHEMBL419683

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Cc1ccc(S(=O)(=O)N(CCCCNCCCCN)Cc2c3ccccc3cc3ccccc23)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL419683
Phase	Preclinical
Structure Type	MOL
InChI Key	IHLDTDMPOWPHOD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

503.7

MW (Da)

5.60

ALogP

HBA

HBD

75.4

PSA (Å²)

0.18

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.13

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L1210 CHEMBL386	IC50	5.13	5.11	7400.0	2
CHO CHEMBL613853	IC50	4.98	4.98	10400.0	1
CHO-MG CHEMBL614558	IC50	4.97	4.97	10600.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L1210	IC50	=	7400.0	nM	5.13	In vitro cytotoxicity against L1210 (murine leukemia) cells.	12801230
L1210	IC50	=	8100.0	nM	5.09	Cytotoxicity was determined against alpha-difluoromethylornithine (DFMO) treated...	12801230
CHO	IC50	=	10400.0	nM	4.98	Cytotoxicity was determined against Chinese hamster ovary (CHO) cells	12801230
CHO-MG	IC50	=	10600.0	nM	4.97	Cytotoxicity was determined against Chinese hamster ovary mutant cell line(CHO-M...	12801230

PubMed	DOI	Target Context	# Activities
12801230	10.1021/jm030028w	L1210	2
12801230	10.1021/jm030028w	NON-PROTEIN TARGET	2
12801230	10.1021/jm030028w	Unchecked	1
12801230	10.1021/jm030028w	CHO-MG	1
12801230	10.1021/jm030028w	CHO	1

Data from ChEMBL 36 via Core Engine