cianidanol indications/contra

Stem definitionDrug idCAS RN
629 154-23-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • cianidanol
  • catechin
  • catechinic acid
  • catechuic acid
  • cyanidanol
  • cyanidol
  • dexcyanidanol
An antioxidant flavonoid, occurring especially in woody plants as both (+)-catechin and (-)-epicatechin (cis) forms.
  • Molecular weight: 290.27
  • Formula: C15H14O6
  • CLOGP: 0.53
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 5
  • TPSA: 110.38
  • ALOGS: -2.65
  • ROTB: 1

Drug dosage:

None

Approvals:

DateAgencyCompanyOrphan
None FDA

FDA Adverse Event Reporting System

None

Pharmacologic Action:

None

Drug Use (View source of the data)

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DiseaseRelationSNOMED_IDDOID
Condyloma acuminatum indication 240542006 DOID:11168
Poisoning by digitalis glycoside contraindication 12876009
Constipation contraindication 14760008 DOID:2089
Sarcoidosis contraindication 31541009 DOID:13404
Hypercalcemia contraindication 66931009 DOID:12678
Hypercalciuria contraindication 71938000
Kidney disease contraindication 90708001 DOID:2527
Kidney stone contraindication 95570007
Open wound contraindication 125643001

Acid dissociation constants calculated using MoKa v3.0.0

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Dissociation levelDissociation constantType (acidic/basic)
pKa1 6.74 acidic
pKa2 9.15 acidic
pKa3 11.44 acidic
pKa4 12.17 acidic
pKa5 13.78 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Prothrombin Enzyme Kd 4.31 CHEMBL
Prostaglandin G/H synthase 1 Enzyme IC50 4.44 CHEMBL
Prostaglandin G/H synthase 2 Enzyme IC50 4.03 CHEMBL
Carbonic anhydrase 7 Enzyme Ki 6.35 CHEMBL
Carbonic anhydrase 2 Enzyme Ki 5.74 CHEMBL
Carbonic anhydrase 1 Enzyme Ki 5.62 CHEMBL
Carbonic anhydrase 3 Enzyme Ki 5.45 CHEMBL
Carbonic anhydrase 5B, mitochondrial Enzyme Ki 5.40 CHEMBL
Carbonic anhydrase 5A, mitochondrial Enzyme Ki 5.38 CHEMBL
Carbonic anhydrase 12 Enzyme Ki 5.33 CHEMBL
Carbonic anhydrase 4 Enzyme Ki 5.31 CHEMBL
Carbonic anhydrase 6 Enzyme Ki 5.31 CHEMBL
Carbonic anhydrase 9 Enzyme Ki 5.30 CHEMBL
Carbonic anhydrase 13 Enzyme Ki 4.98 CHEMBL
Carbonic anhydrase 14 Enzyme Ki 4.94 CHEMBL
Beta-secretase 1 Enzyme IC50 4.52 CHEMBL
Arginase Enzyme Ki 6.22 CHEMBL
Prostaglandin G/H synthase 1 Enzyme IC50 4.10 CHEMBL
Prostaglandin G/H synthase 1 Enzyme Kd 4.39 CHEMBL
Carbonic anhydrase 15 Enzyme Ki 5.11 CHEMBL

External reference:

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IDSource
4028923 VUID
N0000179809 NUI
C0007404 UMLSCUI
D00200 KEGG_DRUG
9064 PUBCHEM_CID
423247009 SNOMEDCT_US
423717008 SNOMEDCT_US
4028923 VANDF
N0000167028 NDFRT
N0000179809 NDFRT
1367177 RXNORM
005135 NDDF
008593 NDDF
8R1V1STN48 UNII
4804 INN_ID
CHEMBL311498 ChEMBL_ID
CHEMBL206452 ChEMBL_ID
CHEBI:15600 CHEBI
D002392 MESH_DESCRIPTOR_UI
KXN PDB_CHEM_ID

Pharmaceutical products:

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ProductCategoryIngredientsNDCFormQuantityRoute MarketingLabel
Slim 2 HUMAN OTC DRUG LABEL 1 60314-1001 POWDER 0.45 g ORAL unapproved drug other 7 sections