Compound Detail

CHEMBL280338

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Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL280338
Phase	Preclinical
Structure Type	MOL
InChI Key	UVRKUVNSKMUATC-FMIVXFBMSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

298.4

MW (Da)

-0.13

ALogP

HBA

HBD

107.4

PSA (Å²)

0.83

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 4 meas. best 7.77

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Carbonic anhydrase 2 CHEMBL205	Ki	7.77	7.77	17.0	1
Unchecked CHEMBL612545	Ki	7.08	7.08	83.0	1
Carbonic anhydrase 4 CHEMBL281	Ki	6.76	6.76	174.0	1
Carbonic anhydrase 1 CHEMBL261	Ki	6.07	6.07	850.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Carbonic anhydrase 2	Ki	=	17.0	nM	7.77	Inhibition of human cytosolic isozyme Carbonic anhydrase II at 20 degree C	14971907
Unchecked	Ki	=	83.0	nM	7.08	Inhibition of murine mitochondrial isozyme Carbonic anhydrase V at 20 degrees C	14971907
Carbonic anhydrase 4	Ki	=	174.0	nM	6.76	Inhibition of bovine membrane bound isozyme carbonic anhydrase IV isolated from ...	14971907
Carbonic anhydrase 1	Ki	=	850.0	nM	6.07	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