Compound Detail

CHEMBL434275

Enter ChEMBL ID:

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

O=C(O)c1cnc2cc(OCc3ccc(Oc4ccccc4)cc3)ccc2c1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL434275
Phase	Preclinical
Structure Type	MOL
InChI Key	SDIVVNRSNGMAEE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

387.4

MW (Da)

5.01

ALogP

HBA

HBD

88.9

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.83

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Malate dehydrogenase, mitochondrial CHEMBL3444	IC50	5.83	5.83	1479.1	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.56	4.56	27542.3	1
Malate dehydrogenase, cytoplasmic CHEMBL4048	IC50	4.51	4.51	30903.0	1
Ehrlich CHEMBL614641	IC50	4.0	4.0	100000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Malate dehydrogenase, mitochondrial	IC50	=	1479.11	nM	5.83	Ability to inhibit mitochondrial malate dehydrogenase	7086823
NON-PROTEIN TARGET	IC50	=	27542.29	nM	4.56	Ability to inhibit skeletal muscle LDH (LDH-M4)	7086823
Malate dehydrogenase, cytoplasmic	IC50	=	30902.95	nM	4.51	Ability to inhibit cytoplasmic malate dehydrogenase	7086823
Ehrlich	IC50	=	100000.0	nM	4.0	Inhibition of Ehrlich ascites cell respiration	7086823

PubMed	DOI	Target Context	# Activities
7086823	10.1021/jm00343a011	Malate dehydrogenase, mitochondrial	1
7086823	10.1021/jm00343a011	Malate dehydrogenase, cytoplasmic	1
7086823	10.1021/jm00343a011	NON-PROTEIN TARGET	1
7086823	10.1021/jm00343a011	Ehrlich	1

Data from ChEMBL 36 via Core Engine