Compound Detail

CHEMBL207565

Enter ChEMBL ID:

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

Nc1cc(CO)cc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL207565
Phase	Preclinical
Structure Type	MOL
InChI Key	SGEZFCHJWOYOGZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

499.4

MW (Da)

5.36

ALogP

HBA

HBD

83.6

PSA (Å²)

0.15

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 8.18

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MX1 CHEMBL613704	IC50	8.18	8.18	6.6	1
CCRF-CEM CHEMBL382	IC50	8.17	7.4233	6.7	3
HCT-116 CHEMBL394	IC50	8.11	8.11	7.7	1
A549 CHEMBL392	IC50	7.49	7.49	32.4	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MX1	IC50	=	6.6	nM	8.18	Antiproliferative activity against human MX1 cell line	16759114
CCRF-CEM	IC50	=	6.7	nM	8.17	Antiproliferative activity against human CCRF-CEM cell line	16759114
HCT-116	IC50	=	7.7	nM	8.11	Antiproliferative activity against human HCT116 cell line	16759114
A549	IC50	=	32.4	nM	7.49	Antiproliferative activity against human A549 cell line	16759114
CCRF-CEM	IC50	=	63.3	nM	7.2	Antiproliferative activity against human taxol resistant CCRF-CEM cell line	16759114
CCRF-CEM	IC50	=	126.0	nM	6.9	Antiproliferative activity against human vinblastine resistant CCRF-CEM cell lin...	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