Compound Detail

CHEMBL5411573

Enter ChEMBL ID:

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

CCCNCC(O)COc1ccccc1C(=O)CCCc1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5411573
Phase	Preclinical
Structure Type	MOL
InChI Key	MPFXPQYAIDHZNN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

355.5

MW (Da)

3.63

ALogP

HBA

HBD

58.6

PSA (Å²)

0.45

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 6 meas. best 5.31

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	5.31	4.7967	4900.0	3
CRMM-1 CHEMBL5441368	IC50	4.6	4.6	25300.0	1
CRMM-2 CHEMBL5465459	IC50	4.54	4.54	28700.0	1
L02 CHEMBL4296457	IC50	4.34	4.34	46000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	4900.0	nM	5.31	Antiproliferative activity against human CM-AS16 cells cells assessed as cell gr...	36868105
Unchecked	IC50	=	25200.0	nM	4.6	Antiproliferative activity against human CM2005.1 cells cells assessed as cell g...	36868105
CRMM-1	IC50	=	25300.0	nM	4.6	Antiproliferative activity against human CRMM-1 cells cells assessed as cell gro...	36868105
CRMM-2	IC50	=	28700.0	nM	4.54	Antiproliferative activity against human CRMM-2 cells cells assessed as cell gro...	36868105
Unchecked	IC50	=	33200.0	nM	4.48	Antiproliferative activity against human PIG1 cells cells assessed as cell growt...	36868105
L02	IC50	=	46000.0	nM	4.34	Antiproliferative activity against human HL7702 cells cells assessed as cell gro...	36868105

PubMed	DOI	Target Context	# Activities
36868105	10.1016/j.ejmech.2023.115238	Unchecked	4
36868105	10.1016/j.ejmech.2023.115238	CRMM-2	1
36868105	10.1016/j.ejmech.2023.115238	CRMM-1	1
36868105	10.1016/j.ejmech.2023.115238	L02	1

Data from ChEMBL 36 via Core Engine