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Compound Detail

CHEMBL1355

SODIUM CITRATE
💊 Approved Drug
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💊 Approved Drug
O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1355
Name SODIUM CITRATE
Phase Approved
Structure Type MOL
InChI Key HRXKRNGNAMMEHJ-UHFFFAOYSA-K

Known Names

Anhydrous sodium citrate Anhydrous trisodium citrate Anticoagulant sodium citrate Canesten oasis Citric acid, trisodium salt Citrosodine Cymalon Cystemme Cystocalm Cystoleve E-331(III) E331 +18 more
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
16
Publications
30
Known Names
11
Indications

Molecular Properties

258.1
MW (Da)

Drug Information

Molecule Type Small molecule
First Approval 1983
Availability Prescription
Chirality Achiral

Routes of Administration

Parenteral

Flags

Natural Product

Extended Properties

Molecular Formula C6H5Na3O7
MW 258.07

Indications

Anemia Depressive Disorder Dry Eye Syndromes Graft vs Host Disease Uveitis, Anterior Cataract Polycystic Kidney, Autosomal Dominant Venous Thrombosis Diabetes Mellitus, Type 1 Osteoarthritis Propionic Acidemia

ATC Classification

B05CB02
sodium citrate
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS

Activity Summary

Ki 7 meas. best 7.0
IC50 1 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 4
CHEMBL3729
 Ki 7.0 7.0 99.0 1
No relevant target
CHEMBL2362975
 IC50 4.85 4.85 14000.0 1
Carbonic anhydrase
CHEMBL5337
 Ki 4.41 4.41 39100.0 1
Unchecked
CHEMBL612545
 Ki 4.05 4.05 88600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 4 Ki = 99.0 nM 7.0 Binding affinity against human cytosolic Carbonic anhydrase IV 15664815
No relevant target IC50 = 14000.0 nM 4.85 Metal chelating activity assessed as Fe2+-compound complex formation incubated f... 33214834
Carbonic anhydrase Ki = 39100.0 nM 4.41 Inhibition of Candida albicans Nce103 19297172
Unchecked Ki = 88600.0 nM 4.05 Inhibition of Cryptococcus neoformans Can2 19297172

Literature References

PubMed DOI Target Context # Activities
15664815 10.1016/j.bmcl.2004.11.057 Carbonic anhydrase 1 1
15664815 10.1016/j.bmcl.2004.11.057 Carbonic anhydrase 2 1
15664815 10.1016/j.bmcl.2004.11.057 Carbonic anhydrase 4 1
15664815 10.1016/j.bmcl.2004.11.057 Carbonic anhydrase 5A, mitochondrial 1
15664815 10.1016/j.bmcl.2004.11.057 Carbonic anhydrase 9 1
19297172 10.1016/j.bmc.2009.02.058 Carbonic anhydrase 2 1
19297172 10.1016/j.bmc.2009.02.058 Unchecked 1
19297172 10.1016/j.bmc.2009.02.058 Carbonic anhydrase 1
- 10.1039/C2MD20096A Unchecked 1
33214834 10.1021/acsmedchemlett.0c00359 No relevant target 1
37360398 10.1039/d3md00128h HGC-27 1
37360398 10.1039/d3md00128h HCT-116 1
37360398 10.1039/d3md00128h HepG2 1
37360398 10.1039/d3md00128h MDA-MB-231 1
37360398 10.1039/d3md00128h SMMC-7721 1
37360398 10.1039/d3md00128h L02 1

Data from ChEMBL 36 via Core Engine