Compound Detail

CHEMBL286004

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NS(=O)(=O)c1nnc(NC(=O)CCCCC(F)(F)C(F)(F)F)s1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL286004
Phase	Preclinical
Structure Type	MOL
InChI Key	FKGIVIHRGSYAAR-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

382.3

MW (Da)

1.88

ALogP

HBA

HBD

115.0

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 8.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Carbonic anhydrase 2 CHEMBL205	Ki	8.7	8.7	2.0	1
Carbonic anhydrase 4 CHEMBL281	Ki	8.0	8.0	10.0	1
Unchecked CHEMBL612545	Ki	7.89	7.89	13.0	1
Carbonic anhydrase 1 CHEMBL261	Ki	6.6	6.6	250.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Carbonic anhydrase 2	Ki	=	2.0	nM	8.7	Inhibition of human cytosolic isozyme Carbonic anhydrase II at 20 degree C	14971907
Carbonic anhydrase 4	Ki	=	10.0	nM	8.0	Inhibition of bovine membrane bound isozyme carbonic anhydrase IV isolated from ...	14971907
Unchecked	Ki	=	13.0	nM	7.89	Inhibition of murine mitochondrial isozyme Carbonic anhydrase V at 20 degrees C	14971907
Carbonic anhydrase 1	Ki	=	250.0	nM	6.6	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