Compound Detail

CHEMBL1533040

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N=C(NOC(=O)c1ccc(F)cc1)c1ccc(Br)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1533040
Phase	Preclinical
Structure Type	MOL
InChI Key	OVPYGWCZTZCEKD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

337.1

MW (Da)

3.28

ALogP

HBA

HBD

62.2

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.5

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180	IC50	5.5	4.99	3140.0	2
Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194	IC50	5.18	4.7267	6610.0	3

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mitochondrial import inner membrane translocase subunit TIM23	IC50	=	3140.0	nM	5.5	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Mitochondrial import inner membrane translocase subunit TIM10	IC50	=	6610.0	nM	5.18	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Mitochondrial import inner membrane translocase subunit TIM10	IC50	=	25260.0	nM	4.6	PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine...	-
Mitochondrial import inner membrane translocase subunit TIM23	IC50	=	33360.0	nM	4.48	PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1 yeast via...	-
Mitochondrial import inner membrane translocase subunit TIM10	IC50	=	39810.0	nM	4.4	PUBCHEM_BIOASSAY: SAR analysis of small molecule inhibitors of tim23-1: a lumine...	-

Data from ChEMBL 36 via Core Engine