edetic acid ๐Ÿถ Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
987 60-00-4

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • edetate disodium
  • edetic acid
  • EDTA
  • edathamil
  • endrate
  • ethylenedinitrilotetraacetic acid
  • edetate calcium disodium
  • calcium disodium versenate
A chelating agent that sequesters a variety of polyvalent cations such as CALCIUM. It is used in pharmaceutical manufacturing and as a food additive.
  • Molecular weight: 292.24
  • Formula: C10H16N2O8
  • CLOGP: -1.92
  • LIPINSKI: 0
  • HAC: 10
  • HDO: 4
  • TPSA: 155.68
  • ALOGS: -1.50
  • ROTB: 11

  • Status: OFP

  • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

PropertyValueReference
BDDCS (Biopharmaceutical Drug Disposition Classification System) 3 Benet LZ, Broccatelli F, Oprea TI
S (Water solubility) 91 mg/mL Benet LZ, Broccatelli F, Oprea TI
EoM (Fraction excreted unchanged in urine) 95 % Benet LZ, Broccatelli F, Oprea TI
MRTD (Maximum Recommended Therapeutic Daily Dose) 66.03 ยตM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD

Approvals:

DateAgencyCompanyOrphan
July 16, 1953 FDA MEDICIS

FDA Adverse Event Reporting System (Female)

MedDRA adverse event termLikelihood ratioLikelihood ratio thresholdPatients taking drug having adverse eventPatients taking drug not having adverse eventPatients not taking drug having adverse eventPatients not taking drug not having adverse event
Gastrointestinal toxicity 187.53 164.81 36 767 4641 50599680
Pulmonary toxicity 175.26 164.81 35 768 5527 50598794

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
FDA PE N0000008556 Decreased Coagulation Factor Activity
FDA MoA N0000175089 Calcium Chelating Activity
CHEBI has role CHEBI:38161 Chelating agent
CHEBI has role CHEBI:50247 antidotes
CHEBI has role CHEBI:176497 geroprotectors
MeSH PA D000925 Anticoagulants
MeSH PA D065096 Calcium Chelating Agents
MeSH PA D002614 Chelating Agents
MeSH PA D005503 Food Additives
MeSH PA D006401 Hematologic Agents
MeSH PA D064449 Sequestering Agents
FDA MoA N0000175962 Lead Chelating Activity
FDA EPC N0000175963 Lead Chelator
FDA EPC N0000175980 Anti-coagulant
CHEBI has role CHEBI:50249 anticoagulants
CHEBI has role CHEBI:166831 copper chelator

Drug Use (View source of the data)

DiseaseRelationSNOMED_IDDOID
Digitalis toxicity by EKG indication 6412007
Hypercalcemia indication 66931009 DOID:12678
Accidental poisoning by lead and its compounds and fumes indication 216777009
Cerebral edema contraindication 2032001
Anuria contraindication 2472002 DOID:2983
Hypocalcemia contraindication 5291005
Dehydration contraindication 34095006
Hypokalemia contraindication 43339004
Chronic heart failure contraindication 48447003
Acute nephropathy contraindication 58574008
Oliguria contraindication 83128009
Epilepsy contraindication 84757009 DOID:1826
Kidney disease contraindication 90708001 DOID:557
Inflammatory disease of liver contraindication 128241005
Pulmonary tuberculosis contraindication 154283005 DOID:2957
Disease of liver contraindication 235856003 DOID:409
Lesion of brain contraindication 301766008




๐Ÿถ Veterinary Drug Use

None

๐Ÿถ Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 0.96 acidic
pKa2 1.56 acidic
pKa3 2.15 acidic
pKa4 2.75 acidic
pKa5 10.12 Basic
pKa6 6.12 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Angiotensin-converting enzyme Enzyme IC50 4.85 CHEMBL
Ceramide glucosyltransferase Enzyme WOMBAT-PK
Amyloid beta A4 protein Unclassified IC50 5.11 CHEMBL
Eyes absent homolog 2 Enzyme IC50 4.19 CHEMBL
Beta-lactamase Enzyme IC50 4.55 CHEMBL
Beta-lactamase VIM-1; Class B carbapenemase VIM-1; Metallo-beta-lactamase; Metallo-beta-lactamase VIM-1; Metallobeta-lactamase; VIM-1; VIM-1 metallo-beta lactamase; VIM-1 metallo-beta-lactamase; VIM-1 Unclassified IC50 5.03 CHEMBL
cAMP-specific 3',5'-cyclic phosphodiesterase 4B Enzyme IC50 4.13 CHEMBL

External reference:

IDSource
4031052 VUID
N0000183560 NUI
D00052 KEGG_DRUG
6381-92-6 SECONDARY_CAS_RN
6766-87-6 SECONDARY_CAS_RN
4017473 VANDF
4017479 VANDF
4017590 VANDF
4018923 VANDF
4031052 VANDF
C0013618 UMLSCUI
CHEBI:42191 CHEBI
EDT PDB_CHEM_ID
CHEMBL858 ChEMBL_ID
CHEMBL1749 ChEMBL_ID
CHEMBL3989507 ChEMBL_ID
DB00974 DRUGBANK_ID
CHEMBL3989522 ChEMBL_ID
D004492 MESH_DESCRIPTOR_UI
6049 PUBCHEM_CID
534 INN_ID
9G34HU7RV0 UNII
1903 RXNORM
23 MMSL
30988 MMSL
3413 MMSL
4651 MMSL
4652 MMSL
728 MMSL
NOCODE MMSL
d00742 MMSL
d01403 MMSL
001090 NDDF
001091 NDDF
002560 NDDF
003785 NDDF
372628006 SNOMEDCT_US
387418006 SNOMEDCT_US
387428002 SNOMEDCT_US
CHEMBL1200375 ChEMBL_ID

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Clinplant HUMAN OTC DRUG LABEL 1 47649-0002 GEL, DENTIFRICE 24 g DENTAL unapproved drug other 7 sections
YIGANERJING SuifurSoap HUMAN OTC DRUG LABEL 3 71939-003 SOAP 0.07 g TOPICAL unapproved drug other 7 sections
YIGANERJING SuifurSoap HUMAN OTC DRUG LABEL 3 71939-003 SOAP 0.07 g TOPICAL unapproved drug other 7 sections
MIIN FOOT HUMAN OTC DRUG LABEL 4 72988-0014 LIQUID 0.05 g TOPICAL OTC monograph not final 7 sections
Miracle FootCream Lavender HUMAN OTC DRUG LABEL 4 82145-0005 CREAM 0.05 g TOPICAL unapproved drug other 7 sections
Miracle FootCream Lemon HUMAN OTC DRUG LABEL 4 82145-0006 CREAM 0.05 g TOPICAL unapproved drug other 7 sections
Calcium Disodium Versenate HUMAN PRESCRIPTION DRUG LABEL 1 99207-240 INJECTION 200 mg INTRAMUSCULAR NDA 25 sections