Compound Detail

CHEMBL377262

Enter ChEMBL ID:

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

Cc1ccc(N)cc1Nc1c2ccccc2nc2c(OCCN(CCCl)CCCl)cccc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL377262
Phase	Preclinical
Structure Type	MOL
InChI Key	HVGPLFUCZHGRMN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

483.4

MW (Da)

6.18

ALogP

HBA

HBD

63.4

PSA (Å²)

0.16

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 8.15

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MX1 CHEMBL613704	IC50	8.15	8.15	7.1	1
CCRF-CEM CHEMBL382	IC50	8.1	7.6467	8.0	3
HCT-116 CHEMBL394	IC50	8.05	8.05	9.0	1
A549 CHEMBL392	IC50	7.5	7.5	31.6	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MX1	IC50	=	7.1	nM	8.15	Antiproliferative activity against human MX1 cell line	16759114
CCRF-CEM	IC50	=	8.0	nM	8.1	Antiproliferative activity against human CCRF-CEM cell line	16759114
HCT-116	IC50	=	9.0	nM	8.05	Antiproliferative activity against human HCT116 cell line	16759114
CCRF-CEM	IC50	=	31.2	nM	7.51	Antiproliferative activity against human vinblastine resistant CCRF-CEM cell lin...	16759114
A549	IC50	=	31.6	nM	7.5	Antiproliferative activity against human A549 cell line	16759114
CCRF-CEM	IC50	=	46.5	nM	7.33	Antiproliferative activity against human taxol resistant CCRF-CEM cell line	16759114

PubMed	DOI	Target Context	# Activities
16759114	10.1021/jm060197r	CCRF-CEM	3
16759114	10.1021/jm060197r	A549	1
16759114	10.1021/jm060197r	HCT-116	1
16759114	10.1021/jm060197r	MX1	1

Data from ChEMBL 36 via Core Engine