Compound Detail

CHEMBL388994

Enter ChEMBL ID:

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

Cc1ccc(O)c(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL388994
Phase	Preclinical
Structure Type	MOL
InChI Key	JEWVHVWAODNWEN-SCFUHWHPSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

387.4

MW (Da)

0.06

ALogP

HBA

HBD

145.8

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
CCRF-CEM CHEMBL382	IC50	5.72	5.72	1900.0	1
HL-60 CHEMBL383	IC50	4.82	4.82	15000.0	1
K562 CHEMBL385	IC50	4.78	4.78	16500.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
CCRF-CEM	IC50	=	1900.0	nM	5.72	Antitumor activity against human CEM cells after 72 hrs by Calcein AM assay	17418578
HL-60	IC50	=	15000.0	nM	4.82	Antitumor activity against human HL60 cells after 72 hrs by Calcein AM assay	17418578
K562	IC50	=	16500.0	nM	4.78	Antitumor activity against human K562 cells after 72 hrs by Calcein AM assay	17418578

PubMed	DOI	Target Context	# Activities
17418578	10.1016/j.bmc.2007.03.038	Amaranthus	1
17418578	10.1016/j.bmc.2007.03.038	Triticum aestivum	1
17418578	10.1016/j.bmc.2007.03.038	Nicotiana tabacum	1
17418578	10.1016/j.bmc.2007.03.038	HOS	1
17418578	10.1016/j.bmc.2007.03.038	K562	1
17418578	10.1016/j.bmc.2007.03.038	NON-PROTEIN TARGET	1
17418578	10.1016/j.bmc.2007.03.038	CCRF-CEM	1
17418578	10.1016/j.bmc.2007.03.038	HL-60	1
17418578	10.1016/j.bmc.2007.03.038	G-361	1
17418578	10.1016/j.bmc.2007.03.038	B16	1
17418578	10.1016/j.bmc.2007.03.038	ADMET	1

Data from ChEMBL 36 via Core Engine