ZINC6827693 (Carbonate)

In:

Added	Available	Since	Mwt	logP	Heavy Atoms	Tranche	Download
2006-04-26	In-Stock	2015-08-07	62.024	0.222	4	ACAA	SMILES SDF CSV XML JSON

SMILES

InChI

InChI Key

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Available 3D Representations

pH range	Net charge	H-bond donors	H-bond acceptors	tPSA Å²	Rotatable bonds	Apolar desolvationkcal/mol	Polar desolvationkcal/mol	Download
Reference	-1	1	2	60	0	-0.01	-40.52	DB DB2 Mol2 Solvation
Low pH (6.4)	0	2	1	57	0	-2.12	-7.1	DB DB2 Mol2 Solvation

1553 Items Total

Vendors (57 Total)

Aldrich CPR

CDS013577|ALDRICH

Bioactive Tocris

Bioactive Toronto Research Chemicals

L469100

Building Blocks Alfa-Aesar

Building Blocks Combi-Blocks

Building Blocks Frontier Scientific Services BB

Building Blocks Matrix Scientific

Building Blocks Molport BB

Building Blocks Sigma Aldrich (Building Blocks)

Accela ChemBio Inc

Capot Chemical

Chem-Impex International

NCI Plated 2007

Oakwood Chemical

T3249

Vesino Industrial Co Ltd

VZ36209

Building Blocks Acros Organics

Building Blocks AK Scientific

Building Blocks Alfa Chemistry

Building Blocks Ark Pharm Building Blocks

AK106969

Building Blocks Aronis BuildingBlocks

BBC/797

Building Blocks BePharm Building Blocks

Building Blocks Bide Pharmatech BB

Building Blocks BioSynth

J-610004

Building Blocks BOC Sciences BB

Building Blocks Boerchem Pharmatech BB

BC677659

Building Blocks Debye Scientific Building Blocks

DB-017706

Building Blocks FineTech

Building Blocks Heteroz

Building Blocks Lab Seeker Building Blocks

Building Blocks Molepedia

Building Blocks Nanjing Kaimubo Pharmatech

Building Blocks Oxchem Corp.

Building Blocks StruChem BB

Building Blocks Tetrahedron Building Blocks

1717 CheMall Corporation

Alfa Chemistry Make-on-demand

Mcule Make-on-demand

MCULE-3743781291

Molport Make-on-demand

Building Blocks Angene BB Make-on-demand

Building Blocks Angene Building Blocks

Building Blocks Ark Pharm BB Make-on-demand

Building Blocks Aromalake BB

LS60311

Building Blocks AstaTech make-on-demand

29292

Building Blocks eMolecules Building Blocks

Building Blocks FCH Group Building Blocks

Building Blocks Lab Network Building Blocks

Building Blocks Molcore

CS11119

Building Blocks StruChem BB make-on-demand

Building Blocks SynQuest Building Blocks

185 Items Total

Annotated Catalogs (38 Total)

8139879

Biocore Pharmatech

Building Blocks BroadPharm

Building Blocks Element Store BB

BindingDB.org

Bioactive Biocyc via PubChem

CO3
H2CO3
HCO3

Bioactive Bovine Metabolome

Bioactive ChEBI

In Man ChEMBL DrugStore

In Man CSF Metabolome SMPDB

HMDB00595

Bioactive DrugBank All

World Drugs DrugBank-approved

FDA Approved Drugs DrugBank FDA only

Bioactive E. coli Metabolome Database

FDA-approved drugs (via DSSTOX)

In Man Food Database

HMDB31453

Endogenous Human Metabolites Metabolites Bioactive HMDB Endogenous

In Man HMDB Food

HMDB31453

In Man Human Metabolome Database

Bioactive IUPHAR Database

Bioactive KEGG-C via PubChem

In Man KEGG-D via PubChem

Bioactive KEGG via PubChem

Actinidia-(3624)
Actinidiaceae-(3623)
Poaceae-(4479)
Poales-(38820)

Bioactive Protein Databank

BCT
CO3

Prous via PubChem

274887
91439

In Man Serum Metabolome

HMDB00595

In Man SMPDB Small Molecule Pathway Database

SW00011

Natural Products Bioactive TCM Database @ Taiwan

28688
29971

World Drugs TTD Approved

Bioactive TTD Experimental

DNC004964

UNPD226269

In Man Urine Metabolome

Bioactive Yeast Metabolome

YMDB00382

2 Total Observations

Activities based on ChEMBL 20

Gene Name	Class / Organism	pKi (L.E.)	Observations
CA9: Carbonic anhydrase 9	enzyme / lyase (E)	5.07 (1.77)	1
CA: Alpha carbonic anhydrase	Unclassified / unclassified (E)	5.00 (1.75)	1

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SEA Predictions based on ChEMBL 20

There is currently no predicted activity for this compound. You may want to consider using SEA to predict it yourself. Go SEA

Interesting Analogs

Endogenous

None Found

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Metabolites

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Natural Products

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Aggregators

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Drugs

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In Man

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Bioactives

None Found

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Purchasable

Not Computed

Should take ~10s

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Scaffold of this compound

ZINC6827693

103627878

Sources of Ambiguity Find More

Substance Rings

This compound has no patterns of concern (or they have not yet been computed).

Molecular Patterns (Warnings, etc.)

No patterns have been identified.

References

Doc	Year	Journal	Volume	Issue	Pages	Link
54598	2011	Bioorg. Med. Chem. Lett.	21	2	710–714	21208801
20716	2005	Bioorg. Med. Chem. Lett.	15	3	567–571	15664814

View All 356 Clinical Trials

Trial ID	Title	Status	Phase	Start Date	Condition(s)	Drug(s)
NCT01471925	Study Comparing Esomeprazole Associated With Sodium Bicarbonate From Eurofarma and Esomeprazole in Treatment of Gastroesophageal Reflux Disease ESOBIC	Not yet recruiting	Phase 3	Unknown	Gastroesophageal Reflux Disease	Nexium® Esomeprazol (40mg) + Sdium Bicarbonate (721mg)
NCT02381795	Pilot Study Evaluating the Use of Nasal Carbon Dioxide for the Treatment of Cluster Headache	Not yet recruiting	Phase 2	Apr 2015	Cluster Headache	Nasal Carbon Dioxide
NCT02370550	Cyclosporine A in the TReatment of Interstitial Pneumonitis Associated With Sjogren's Syndrome	Not yet recruiting	Phase 4	Mar 2015	Sjogren's Syndrome	Prednisone Placebo Calcium carbonate D Cyclosporin A
NCT01928446	Lithium for Suicidal Behavior in Mood Disorders	Not yet recruiting	Phase 2/Phase 3	Feb 2015	Suicide, Attempted Suicide Bipolar Disorder Depressive Disorder	Lithium Placebo
NCT02322099	Alendronate for Prevention of AntiRetroviral Therapy-associated Bone Loss	Not yet recruiting	Phase 4	Feb 2015	Bone Demineralization	calcium carbonate and colecalciferol Tenofovir disoproxil Alendronate Placebo

Additional Identifiers (Synonyms/CAS Numbers/etc.)

CAS Numbers

ATC Code(s)

WHO Name(s)

Molecule Names

Synonyms

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