Compound Detail

CHEMBL280417

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

NS(=O)(=O)c1ccc(NC(=O)CCCCC(F)(F)C(F)(F)F)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL280417
Phase	Preclinical
Structure Type	MOL
InChI Key	BVZUKTHZFLQPCK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

374.3

MW (Da)

3.03

ALogP

HBA

HBD

89.3

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	Ki	8.0	8.0	10.0	1
Carbonic anhydrase 2 CHEMBL205	Ki	7.77	7.77	17.0	1
Carbonic anhydrase 4 CHEMBL281	Ki	6.22	6.22	600.0	1
Carbonic anhydrase 1 CHEMBL261	Ki	6.02	6.02	950.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	Ki	=	10.0	nM	8.0	Inhibition of murine mitochondrial isozyme Carbonic anhydrase V at 20 degrees C	14971907
Carbonic anhydrase 2	Ki	=	17.0	nM	7.77	Inhibition of human cytosolic isozyme Carbonic anhydrase II at 20 degree C	14971907
Carbonic anhydrase 4	Ki	=	600.0	nM	6.22	Inhibition of bovine membrane bound isozyme carbonic anhydrase IV isolated from ...	14971907
Carbonic anhydrase 1	Ki	=	950.0	nM	6.02	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