Compound Detail

CHEMBL471244

SODIUM IMINODISULFONATE

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O=S(=O)([O-])NS(=O)(=O)[O-].[Na+].[Na+]

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL471244
Name	SODIUM IMINODISULFONATE
Phase	Preclinical
Structure Type	MOL
InChI Key	ZEJFFOOAOUKNBP-UHFFFAOYSA-L
Parent Compound	CHEMBL1207990
Active Moiety	CHEMBL1207990

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

177.2

MW (Da)

-1.82

ALogP

HBA

HBD

120.8

PSA (Å²)

0.43

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

Ki 35 meas.

PubMed	DOI	Target Context	# Activities
27914949	10.1016/j.bmc.2016.11.021	Unchecked	4
25168748	10.1016/j.bmcl.2014.08.014	Unchecked	2
24461298	10.1016/j.bmcl.2013.12.124	Unchecked	2
28754318	10.1016/j.bmc.2017.07.033	Unchecked	2
28238511	10.1016/j.bmc.2017.02.032	Unchecked	2
23414807	10.1016/j.bmcl.2013.01.084	Unchecked	2
22835873	10.1016/j.bmcl.2012.06.106	Unchecked	2
22227210	10.1016/j.bmcl.2011.12.085	Astrosclerin-3	1
25168745	10.1016/j.bmcl.2014.08.015	Carbonic anhydrase 2	1
25168745	10.1016/j.bmcl.2014.08.015	Carbonic anhydrase 1	1
23414807	10.1016/j.bmcl.2013.01.084	Carbonic anhydrase 1	1
23414807	10.1016/j.bmcl.2013.01.084	Carbonic anhydrase 2	1
19269822	10.1016/j.bmcl.2009.02.088	Carbonic anhydrase 1	1
22227210	10.1016/j.bmcl.2011.12.085	Carbonic anhydrase 2	1
22227210	10.1016/j.bmcl.2011.12.085	Carbonic anhydrase 1	1
20137947	10.1016/j.bmcl.2010.01.081	Carbonic anhydrase 9	1
20137947	10.1016/j.bmcl.2010.01.081	Carbonic anhydrase 14	1
19269822	10.1016/j.bmcl.2009.02.088	Carbonic anhydrase 13	1
19269822	10.1016/j.bmcl.2009.02.088	Carbonic anhydrase 7	1
19269822	10.1016/j.bmcl.2009.02.088	Carbonic anhydrase 4	1

Data from ChEMBL 36 via Core Engine