Compound Detail

CHEMBL2376273

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NS(=O)(=O)c1ccc(NC(=O)NCCc2ccccc2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2376273
Phase	Preclinical
Structure Type	MOL
InChI Key	PLJMQXCJAOTORD-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

319.4

MW (Da)

1.70

ALogP

HBA

HBD

101.3

PSA (Å²)

0.78

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 7.25

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Carbonic anhydrase CHEMBL6185	Ki	7.25	7.25	56.0	1
Unchecked CHEMBL612545	Ki	7.1	7.1	79.0	1
Carbonic anhydrase CHEMBL5337	Ki	6.91	6.91	124.0	1
Carbonic anhydrase 2 CHEMBL205	Ki	6.18	6.18	660.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Carbonic anhydrase	Ki	=	56.0	nM	7.25	Inhibition of recombinant full length Candida glabrata NCE103 expressed in Esche...	23511020
Unchecked	Ki	=	79.0	nM	7.1	Inhibition of Cryptococcus neoformans Can2 expressed in Candida albicans RH1 pre...	23511020
Carbonic anhydrase	Ki	=	124.0	nM	6.91	Inhibition of recombinant full length Candida albicans NCE103 expressed in Esche...	23511020
Carbonic anhydrase 2	Ki	=	660.0	nM	6.18	Inhibition of human carbonic anhydrase-2 preincubated for 15 mins by stopped-flo...	23511020

PubMed	DOI	Target Context	# Activities
23511020	10.1016/j.bmcl.2013.02.092	Carbonic anhydrase	2
23511020	10.1016/j.bmcl.2013.02.092	Unchecked	1
23511020	10.1016/j.bmcl.2013.02.092	Carbonic anhydrase 2	1

Data from ChEMBL 36 via Core Engine