DrugCentral 2023 ๐
2022 Update-Veterinary Drugs & Uses
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Structure ๐
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L1000
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DrugCentral 2023 ๐
2022 Update-Veterinary Drugs & Uses
Search
Structure ๐
Similarity ๐
Smart API
Redial
About
Download
L1000
FAQ
Scroll
Substructure SMILES Example:
n1cnccc1
edatrexate ๐ถ
Veterinary Use |
Indications/Contra
| FAERs-F
| FAERs-M
| Orange Bk
| BioActivity |
Stem definition
Drug id
CAS RN
folic acid analogues
986
80576-83-6
Description:
Molecule
Description
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:
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Property
Value
Reference
MRTD (Maximum Recommended Therapeutic Daily Dose)
4.23 ยตM/kg/day
Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
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Approvals:
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Date
Agency
Company
Orphan
Jan. 1, 1978
YEAR INTRODUCED
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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:
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Source
Code
Description
MeSH PA
D000970
Antineoplastic Agents
MeSH PA
D004791
Enzyme Inhibitors
MeSH PA
D005493
Folic Acid Antagonists
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Drug Use
| Suggest Off label Use Form|
|View source of the data|
None
๐ถ Veterinary Drug Use
None
๐ถ Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
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Dissociation level
Dissociation constant
Type (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
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Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
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Target
Class
Pharos
UniProt
Action
Type
Activity value
(-log[M])
Mechanism
action
Bioact source
MoA source
Dihydrofolate reductase
Enzyme
P00374
DYR_HUMAN
INHIBITOR
IC50
8.36
WOMBAT-PK
KEGG DRUG
Folylpolyglutamate synthase, mitochondrial
Enzyme
Q05932
FOLC_HUMAN
WOMBAT-PK
Dihydrofolate reductase
Enzyme
DYR_MOUSE
Ki
6
CHEMBL
Dihydrofolate reductase
Enzyme
DYR_LACCA
IC50
8.42
CHEMBL
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External reference:
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ID
Source
6471
INN_ID
6917908
PUBCHEM_CID
C0044667
UMLSCUI
C040210
MESH_SUPPLEMENTAL_RECORD_UI
CHEMBL296373
ChEMBL_ID
D03942
KEGG_DRUG
JT4X6Z1HRR
UNII
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Pharmaceutical products:
None
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edatrexate