Compound Detail

CHEMBL211969

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Cc1ccc(S(=O)(=O)c2nc(C)c([N+](=O)[O-])c(C)c2C#N)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL211969
Phase	Preclinical
Structure Type	MOL
InChI Key	SWVOLMFAZXVBNL-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

331.4

MW (Da)

2.62

ALogP

HBA

HBD

114.0

PSA (Å²)

0.63

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 5.88

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194	IC50	5.88	5.61	1330.0	2
Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180	IC50	5.68	5.68	2080.0	1
Replicase polyprotein 1a CHEMBL3927	IC50	4.89	4.89	13000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Mitochondrial import inner membrane translocase subunit TIM10	IC50	=	1330.0	nM	5.88	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Mitochondrial import inner membrane translocase subunit TIM23	IC50	=	2080.0	nM	5.68	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Mitochondrial import inner membrane translocase subunit TIM10	IC50	=	4550.0	nM	5.34	PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o...	-
Replicase polyprotein 1a	IC50	=	13000.0	nM	4.89	Inhibition of SARS coronavirus main protease	16913704

PubMed	DOI	Target Context	# Activities
16913704	10.1021/jm060207o	Replicase polyprotein 1a	1

Data from ChEMBL 36 via Core Engine