Compound Detail

CHEMBL334256

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CN(C)CCNc1ccc2ncnc3c2c1C(=O)c1ccccc1-3

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL334256
Phase	Preclinical
Structure Type	MOL
InChI Key	JAWUYNKUGTXXBO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

318.4

MW (Da)

2.81

ALogP

HBA

HBD

58.1

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.69

EC50 1 meas. best 6.69

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L1210 CHEMBL386	EC50	6.69	6.69	203.0	1
L1210 CHEMBL386	IC50	6.69	6.69	203.0	1
HL-60 CHEMBL383	IC50	6.23	6.23	587.0	1
K562 CHEMBL385	IC50	5.77	5.76	1700.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L1210	EC50	=	203.0	nM	6.69	Concentration of compound required to inhibit the cellular protein biosynthesis ...	8421288
L1210	IC50	=	203.0	nM	6.69	Compound was tested in vitro for cytotoxicity against L1210 murine cell line (48...	10479282
HL-60	IC50	=	587.0	nM	6.23	Compound was tested in vitro for cytotoxicity against HL60 human leukemia cell l...	10479282
K562	IC50	=	1700.0	nM	5.77	Compound was tested in vitro for cytotoxicity against MDR cell line K562R (72 hr...	10479282
K562	IC50	=	1756.0	nM	5.75	Compound was tested in vitro for cytotoxicity against MDR cell line K562R (RI) (...	10479282

PubMed	DOI	Target Context	# Activities
8421288	10.1021/jm00053a005	Unchecked	2
8421288	10.1021/jm00053a005	P388	2
8421288	10.1021/jm00053a005	ADMET	2
10479282	10.1021/jm980682p	K562	2
8421288	10.1021/jm00053a005	L1210	1
8421288	10.1021/jm00053a005	NADH-ubiquinone oxidoreductase chain 4	1
10479282	10.1021/jm980682p	L1210	1
10479282	10.1021/jm980682p	HL-60	1

Data from ChEMBL 36 via Core Engine