Compound Detail

CHEMBL353260

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CNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL353260
Phase	Preclinical
Structure Type	MOL
InChI Key	LOXMTPXGOUSTAD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

262.3

MW (Da)

2.14

ALogP

HBA

HBD

72.2

PSA (Å²)

0.83

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 5.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	5.89	5.3675	1290.0	4
Dihydropteroate synthetase, putative CHEMBL1741265	IC50	4.57	4.57	26700.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	1290.0	nM	5.89	Inhibitory activity against dihydropteroic acid synthase (SYN) from Mycobacteriu...	14695838
Unchecked	IC50	=	2000.0	nM	5.7	Inhibitory activity against dihydropteroic acid synthase (SYN) from Mycobacteriu...	14695838
Unchecked	IC50	=	2810.0	nM	5.55	Inhibitory activity against dihydropteroic acid synthase (SYN) from candida albi...	14695838
Dihydropteroate synthetase, putative	IC50	=	26700.0	nM	4.57	Inhibitory activity against dihydropteroic acid synthase (SYN) from Plasmodium b...	14695838
Unchecked	IC50	=	46210.0	nM	4.33	Inhibitory activity against dihydropteroic acid synthase (SYN) from Escherichia ...	14695838

PubMed	DOI	Target Context	# Activities
14695838	10.1021/jm030931w	Unchecked	4
14695838	10.1021/jm030931w	Dihydropteroate synthetase, putative	1
3572979	10.1021/jm00388a026	Unchecked	1
31103404	10.1016/j.bmc.2019.04.032	Mycolicibacterium smegmatis	1

Data from ChEMBL 36 via Core Engine