Compound Detail

CHEMBL4440290

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4440290
Phase	Preclinical
Structure Type	MOL
InChI Key	IBDASEYBOOUHFZ-FRKSIBALSA-N
Parent Compound	CHEMBL191881
Active Moiety	CHEMBL191881

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

426.6

MW (Da)

0.02

ALogP

HBA

HBD

166.3

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 5.6

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
HCT-116 CHEMBL394	IC50	5.6	5.6	2500.0	1
Calpain-9 CHEMBL4523126	IC50	5.03	5.03	9240.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
HCT-116	IC50	=	2500.0	nM	5.6	Induction of autophagy in human HCT-116 cells assessed as increase in p62 expres...	38295689
Calpain-9	IC50	=	9240.0	nM	5.03	Inhibition of human recombinant mini-CAPN9 pre-incubated for 10 mins before calp...	-

PubMed	DOI	Target Context	# Activities
38295689	10.1016/j.ejmech.2023.116117	HCT-116	1

Data from ChEMBL 36 via Core Engine