edetic acid 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | 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 µM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AXL,BMX,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,CSF1R,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT1,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK10,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK1,NTRK2,PDK2,PDK4,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 64
kinase-selectivity-class ACVR2B,AXL,BMX,BRAF,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,MAP2K6,MAPK7,MAPK8,PIK3CB,PIK3CD,PIK3CG,PRKDC,STK33,TEK,TGFBR1 20
pfas-class PFAS structural alert (1 = True, 0 = False) 0

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 405.36 69.98 87 2869 9380 90616111
Pulmonary toxicity 382.80 69.98 86 2870 11445 90614046
Neoplasm malignant 295.21 69.98 87 2869 33793 90591698
Joint injury 293.92 69.98 86 2870 32578 90592913
Hepatotoxicity 269.28 69.98 87 2869 45755 90579736
Joint stiffness 178.78 69.98 74 2882 77968 90547523
Therapy non-responder 177.10 69.98 87 2869 136617 90488874
Musculoskeletal pain 158.60 69.98 87 2869 171164 90454327
C-reactive protein abnormal 155.79 69.98 78 2878 127351 90498140
Musculoskeletal stiffness 114.81 69.98 87 2869 296445 90329046
Treatment failure 110.71 69.98 86 2870 303842 90321649
Therapeutic product effect incomplete 102.89 69.98 69 2887 193827 90431664
Infection 97.50 69.98 86 2870 362008 90263483
Pain in extremity 86.94 69.98 89 2867 450440 90175051
Joint swelling 72.00 69.98 85 2871 503215 90122276

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

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 234.38 69.70 56 3099 11092 110575052
Pulmonary toxicity 208.54 69.70 56 3099 17690 110568454
Joint injury 171.51 69.70 58 3097 39936 110546208
Neoplasm malignant 167.72 69.70 56 3099 37087 110549057
Hepatotoxicity 138.51 69.70 56 3099 63344 110522800
Central nervous system mass 135.21 69.70 23 3132 811 110585333
Wall motion score index abnormal 135.01 69.70 23 3132 818 110585326
Airway remodelling 132.41 69.70 23 3132 919 110585225
Joint stiffness 128.58 69.70 54 3101 67189 110518955
Atopy 127.75 69.70 23 3132 1131 110585013
Cardiac septal defect 118.13 69.70 21 3134 960 110585184
Eosinophilic myocarditis 114.17 69.70 23 3132 2062 110584082
Microangiopathy 106.04 69.70 23 3132 2949 110583195
Therapy non-responder 90.26 69.70 56 3099 157251 110428893
Eosinophil count decreased 89.90 69.70 23 3132 5995 110580149
Nodule 89.44 69.70 34 3121 32597 110553547
Eosinophilic pneumonia 85.72 69.70 23 3132 7204 110578940
Blood immunoglobulin E increased 84.93 69.70 23 3132 7459 110578685
Musculoskeletal pain 82.50 69.70 56 3099 182967 110403177
Respiratory symptom 77.31 69.70 25 3130 14920 110571224
C-reactive protein abnormal 76.46 69.70 47 3108 129648 110456496
Ventricular hypokinesia 75.73 69.70 23 3132 11191 110574953
Eosinophilic granulomatosis with polyangiitis 72.52 69.70 22 3133 10664 110575480
Nasal polyps 72.04 69.70 23 3132 13177 110572967

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
FDA PE N0000008556 Decreased Coagulation Factor Activity
FDA MoA N0000175089 Calcium Chelating Activity
MeSH PA D000925 Anticoagulants
MeSH PA D002614 Chelating Agents
MeSH PA D005503 Food Additives
MeSH PA D006401 Hematologic Agents
MeSH PA D064449 Sequestering Agents
MeSH PA D065096 Calcium Chelating Agents
FDA MoA N0000175962 Lead Chelating Activity
FDA EPC N0000175963 Lead Chelator
FDA EPC N0000175980 Anti-coagulant
CHEBI has role CHEBI:35526 hypoglycemic agent
CHEBI has role CHEBI:35554 cardiovascular drug
CHEBI has role CHEBI:66981 ophthalmology drug

Drug Use | Suggest Off label Use Form| |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




🐶 Veterinary Drug Use

None

🐶 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 Membrane other 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 Enzyme IC50 5.03 CHEMBL
cAMP-specific 3',5'-cyclic phosphodiesterase 4B Enzyme IC50 4.13 CHEMBL
Beta-lactamase NDM-1 Enzyme IC50 6.40 CHEMBL

External reference:

IDSource
4031052 VUID
N0000183560 NUI
D00052 KEGG_DRUG
6381-92-6 SECONDARY_CAS_RN
4017473 VANDF
4017479 VANDF
4017590 VANDF
4018923 VANDF
4020659 VANDF
4031052 VANDF
C0013618 UMLSCUI
CHEBI:4735 CHEBI
CHEMBL858 ChEMBL_ID
CHEMBL3989507 ChEMBL_ID
DB00974 DRUGBANK_ID
CHEMBL3989522 ChEMBL_ID
D004492 MESH_DESCRIPTOR_UI
6049 PUBCHEM_CID
534 INN_ID
6766-87-6 SECONDARY_CAS_RN
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
387418006 SNOMEDCT_US
387428002 SNOMEDCT_US
69519002 SNOMEDCT_US
EDT PDB_CHEM_ID

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Edetate Calcium Disodium Human Prescription Drug Label 1 64980-588 INJECTION 200 mg INTRAMUSCULAR ANDA 23 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
Anubis Barcelona HUMAN OTC DRUG LABEL 12 83021-495 CONCENTRATE 0 g TOPICAL OTC monograph final 9 sections
Anubis Barcelona HUMAN OTC DRUG LABEL 13 83021-839 CONCENTRATE 0 g TOPICAL OTC monograph final 9 sections