tetroxoprim 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
antimicrobials, dihydrofolate reductase (DHFR) inhibitors, trimethoprim analogues 2615 53808-87-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • piritrexin
  • tetroxoprim
  • Molecular weight: 334.38
  • Formula: C16H22N4O4
  • CLOGP: 0.87
  • LIPINSKI: 0
  • HAC: 8
  • HDO: 2
  • TPSA: 114.74
  • ALOGS: -3.42
  • ROTB: 8

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
kinase-safety-class ACVR2B,EIF2AK3,GRK2,MAP3K21,MAPK7,PDK1,PDK2,PDK4,PIK3CA,PIK3CD,PRKDC 11
kinase-selectivity-class AXL,MAP3K21,PIK3CD 3
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 3.483 Moderate 0.77
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 Moderate 0.77
rat-kpuu-brain Rat brain Kpuu 0.037 % Moderate 0.77

Approvals:

None

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
ATC J01EE06 ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
SULFONAMIDES AND TRIMETHOPRIM
Combinations of sulfonamides and trimethoprim, incl. derivatives
MeSH PA D000890 Anti-Infective Agents

Related Drugs by ATC class:

J01EE Combinations of sulfonamides and trimethoprim, incl. derivatives 7 drugs

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 7.01 Basic
pKa2 0.6 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 Ki 8.35 WOMBAT-PK
Dihydrofolate reductase Enzyme Ki 6.26 CHEMBL
Dihydrofolate reductase Enzyme IC50 7.74 CHEMBL
Dihydrofolate reductase Enzyme Ki 8.35 CHEMBL

External reference:

IDSource
D06097 KEGG_DRUG
C0076355 UMLSCUI
CHEBI:135420 CHEBI
CHEMBL32039 ChEMBL_ID
DB15976 DRUGBANK_ID
C023507 MESH_SUPPLEMENTAL_RECORD_UI
65450 PUBCHEM_CID
12328 IUPHAR_LIGAND_ID
3814 INN_ID
5R6712AY0K UNII
37999 RXNORM
005451 NDDF
717105006 SNOMEDCT_US
5R6712AY0K INXIGHT DRUGS

Pharmaceutical products:

None