Compound Detail

CHEMBL5435465

Enter ChEMBL ID:

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

Oc1cc(Cl)cc(N2CCN(c3cnnc4c(Cl)cccc34)CC2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5435465
Phase	Preclinical
Structure Type	MOL
InChI Key	LXZOWKHLZILULX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

375.3

MW (Da)

3.97

ALogP

HBA

HBD

52.5

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 4 meas. best 7.24

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
GCT CHEMBL1075448	IC50	7.24	7.24	57.0	1
RD CHEMBL614144	IC50	7.08	7.08	83.0	1
HT-1080 CHEMBL614580	IC50	7.07	7.07	86.0	1
MCF7 CHEMBL387	IC50	4.92	4.92	12070.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
GCT	IC50	=	57.0	nM	7.24	Antiproliferative activity against human GCT cells assessed as inhibition of cel...	36001933
RD	IC50	=	83.0	nM	7.08	Antiproliferative activity against human RD cells assessed as inhibition of cell...	36001933
HT-1080	IC50	=	86.0	nM	7.07	Antiproliferative activity against human HT-1080 cells assessed as inhibition of...	36001933
MCF7	IC50	=	12070.0	nM	4.92	Antiproliferative activity against human MCF7 cells assessed as inhibition of ce...	36001933

PubMed	DOI	Target Context	# Activities
36001933	10.1016/j.ejmech.2022.114638	HT-1080	1
36001933	10.1016/j.ejmech.2022.114638	RD	1
36001933	10.1016/j.ejmech.2022.114638	GCT	1
36001933	10.1016/j.ejmech.2022.114638	MCF7	1
36001933	10.1016/j.ejmech.2022.114638	Unchecked	1

Data from ChEMBL 36 via Core Engine