Compound Detail

CHEMBL224794

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NC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccncc3C2=O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL224794
Phase	Preclinical
Structure Type	MOL
InChI Key	DJYLBNSTXXFAOA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

327.7

MW (Da)

2.12

ALogP

HBA

HBD

102.2

PSA (Å²)

0.90

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.97

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
ADMET CHEMBL612558	IC50	5.97	5.97	1070.0	1
Col2 CHEMBL614462	IC50	5.8	5.8	1570.0	1
A549 CHEMBL392	IC50	5.4	5.4	4020.0	1
HL-60 CHEMBL383	IC50	5.21	5.21	6220.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
ADMET	IC50	=	1070.0	nM	5.97	Cytotoxicity against human SNU638 cells after 3 days by SRB assay	17035025
Col2	IC50	=	1570.0	nM	5.8	Cytotoxicity against human Col2 cells after 3 days by SRB assay	17035025
A549	IC50	=	4020.0	nM	5.4	Cytotoxicity against human A549 cells after 3 days by SRB assay	17035025
HL-60	IC50	=	6220.0	nM	5.21	Cytotoxicity against human HL60 cells after 3 days by SRB assay	17035025

PubMed	DOI	Target Context	# Activities
17035025	10.1016/j.bmc.2006.09.040	A549	1
17035025	10.1016/j.bmc.2006.09.040	ADMET	1
17035025	10.1016/j.bmc.2006.09.040	Col2	1
17035025	10.1016/j.bmc.2006.09.040	HT-1080	1
17035025	10.1016/j.bmc.2006.09.040	HL-60	1
17035025	10.1016/j.bmc.2006.09.040	Unchecked	1

Data from ChEMBL 36 via Core Engine