edatrexate 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
folic acid analogues 986 80576-83-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • edatrexate
  • Molecular weight: 467.49
  • Formula: C22H25N7O5
  • CLOGP: 1.22
  • LIPINSKI: 1
  • HAC: 12
  • HDO: 5
  • TPSA: 207.30
  • ALOGS: -3.90
  • ROTB: 10

Drug dosage:

None

ADMET properties:

PropertyValueReference
MRTD (Maximum Recommended Therapeutic Daily Dose) 4.23 µM/kg/day Contrera JF, Matthews EJ, Kruhlak NL, Benz RD

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1978 YEAR INTRODUCED

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D000970 Antineoplastic Agents
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D005493 Folic Acid Antagonists

Drug Use | Suggest Off label Use Form| |View source of the data|

None




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 3.61 acidic
pKa2 5.3 acidic
pKa3 13.13 acidic
pKa4 4.62 Basic
pKa5 4.51 Basic
pKa6 1.39 Basic
pKa7 0.25 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
Dihydrofolate reductase Enzyme INHIBITOR IC50 8.36 WOMBAT-PK KEGG DRUG
Folylpolyglutamate synthase, mitochondrial Enzyme WOMBAT-PK
Dihydrofolate reductase Enzyme Ki 6 CHEMBL
Dihydrofolate reductase Enzyme IC50 8.42 CHEMBL

External reference:

IDSource
D03942 KEGG_DRUG
C0044667 UMLSCUI
CHEMBL296373 ChEMBL_ID
C040210 MESH_SUPPLEMENTAL_RECORD_UI
6471 INN_ID
JT4X6Z1HRR UNII
6917908 PUBCHEM_CID

Pharmaceutical products:

None