brodimoprim indications/contra

Stem definitionDrug idCAS RN
antibacterials, dihydrofolate reductase (DHFR) inhibitors, trimethoprim derivatives 398 56518-41-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • brodimoprim
  • unitrim
inhibits dihydrofolate reductase
  • Molecular weight: 339.19
  • Formula: C13H15BrN4O2
  • CLOGP: 2.16
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 2
  • TPSA: 96.28
  • ALOGS: -3
  • ROTB: 4

Drug dosage:

DoseUnitRoute
0.20 g O

Approvals:

DateAgencyCompanyOrphan
Jan. 1, 1993 YEAR INTRODUCED

FDA Adverse Event Reporting System

None

Pharmacologic Action:

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SourceCodeDescription
ATC J01EA02 ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
SULFONAMIDES AND TRIMETHOPRIM
Trimethoprim and derivatives
CHEBI has role CHEBI:35441 antiinfective agent
CHEBI has role CHEBI:36047 antibacterial drug
MeSH PA D000890 Anti-Infective Agents
MeSH PA D004791 Enzyme Inhibitors
MeSH PA D005493 Folic Acid Antagonists

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

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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:

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TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Dihydrofolate reductase Enzyme Ki 8.18 WOMBAT-PK
Dihydrofolate reductase Enzyme IC50 7.51 CHEMBL
Dihydrofolate reductase Enzyme Ki 7.95 CHEMBL
Bifunctional dihydrofolate reductase-thymidylate synthase Enzyme IC50 7.77 CHEMBL
Dihydrofolate reductase Enzyme Ki 4.54 CHEMBL
Dihydrofolate reductase Enzyme IC50 7.82 CHEMBL
Dihydrofolate reductase Unclassified IC50 8.53 CHEMBL
Dihydrofolate reductase Unclassified Ki 8.18 CHEMBL

External reference:

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IDSource
C0054084 UMLSCUI
D07238 KEGG_DRUG
CHEMBL31891 ChEMBL_ID
19727 RXNORM
006013 NDDF
68760 PUBCHEM_CID
C037079 MESH_SUPPLEMENTAL_RECORD_UI
V1YC7T6LLI UNII
4910 INN_ID
CHEBI:131726 CHEBI

Pharmaceutical products:

None