Compound Detail

CHEMBL23058

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CCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL23058
Phase	Preclinical
Structure Type	MOL
InChI Key	YSXLMBQOWQEROH-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

270.4

MW (Da)

1.85

ALogP

HBA

HBD

89.3

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 7.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	7.75	7.75	18.0	1
Carbonic anhydrase 2 CHEMBL205	Ki	7.2	7.2	63.0	1
Carbonic anhydrase 4 CHEMBL281	Ki	6.01	6.01	980.0	1
Carbonic anhydrase 1 CHEMBL261	Ki	4.85	4.85	14200.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	18.0	nM	7.75	Inhibition of murine mitochondrial isozyme Carbonic anhydrase V at 20 degrees C	14971907
Carbonic anhydrase 2	Ki	=	63.0	nM	7.2	Inhibition of human cytosolic isozyme Carbonic anhydrase II at 20 degree C	14971907
Carbonic anhydrase 4	Ki	=	980.0	nM	6.01	Inhibition of bovine membrane bound isozyme carbonic anhydrase IV isolated from ...	14971907
Carbonic anhydrase 1	Ki	=	14200.0	nM	4.85	Inhibition of cloned human cytosolic isozyme Carbonic anhydrase I	14971907

PubMed	DOI	Target Context	# Activities
14971907	10.1021/jm031057+	Unchecked	2
14971907	10.1021/jm031057+	Carbonic anhydrase 1	1
14971907	10.1021/jm031057+	Carbonic anhydrase 2	1
14971907	10.1021/jm031057+	Carbonic anhydrase 4	1

Data from ChEMBL 36 via Core Engine