Brodimoprim
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Brodimoprim
- DrugBank Accession Number
- DB13795
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 339.193
Monoisotopic: 338.037839 - Chemical Formula
- C13H15BrN4O2
- Synonyms
- 2,4-diamino-5-(4-bromo-3,5-dimethoxybenzyl)pyrimidine
- Brodimoprim
- Brodimoprima
- Brodimoprime
- Brodimoprimum
- External IDs
- Ro 10-5970
- Ro 105970
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
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- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Drug Interaction Integrate drug-drug
interactions in your softwareAcetazolamide The therapeutic efficacy of Brodimoprim can be increased when used in combination with Acetazolamide. Folic acid The therapeutic efficacy of Brodimoprim can be decreased when used in combination with Folic acid. Leucovorin The therapeutic efficacy of Brodimoprim can be decreased when used in combination with Leucovorin. Levoleucovorin The therapeutic efficacy of Brodimoprim can be decreased when used in combination with Levoleucovorin. - Food Interactions
- Not Available
Products
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Categories
- ATC Codes
- J01EA02 — Brodimoprim
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Methoxybenzenes
- Direct Parent
- Dimethoxybenzenes
- Alternative Parents
- Phenoxy compounds / Anisoles / Bromobenzenes / Alkyl aryl ethers / Imidolactams / Hydropyrimidines / Aryl bromides / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds show 3 more
- Substituents
- Alkyl aryl ether / Anisole / Aromatic heteromonocyclic compound / Aryl bromide / Aryl halide / Azacycle / Bromobenzene / Dimethoxybenzene / Ether / Halobenzene show 16 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- V1YC7T6LLI
- CAS number
- 56518-41-3
- InChI Key
- BFCRRLMMHNLSCP-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H15BrN4O2/c1-19-9-4-7(5-10(20-2)11(9)14)3-8-6-17-13(16)18-12(8)15/h4-6H,3H2,1-2H3,(H4,15,16,17,18)
- IUPAC Name
- 5-[(4-bromo-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
- SMILES
- COC1=CC(CC2=CN=C(N)N=C2N)=CC(OC)=C1Br
References
- General References
- Not Available
- External Links
- KEGG Drug
- D07238
- ChemSpider
- 62004
- BindingDB
- 50027970
- 19727
- ChEBI
- 131726
- ChEMBL
- CHEMBL31891
- ZINC
- ZINC000000005824
- Wikipedia
- Brodimoprim
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Suspension Tablet - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.338 mg/mL ALOGPS logP 2.06 ALOGPS logP 2.21 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 17.33 Chemaxon pKa (Strongest Basic) 7.16 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 96.28 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 82.67 m3·mol-1 Chemaxon Polarizability 29.97 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-024i-0569000000-a55b37f235731811426a Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-0009000000-d0bf35193ddbfb96bbdb Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0019000000-d251afc9ddf4224c4c36 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0079-0409000000-fb0c61493e6675daf483 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004s-2196000000-c9dcd23f0b99150570fe Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fl0-4792000000-bbacfd6afb2c03f9134f Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-009g-7920000000-d83ba48d0d253942fd86 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 162.50206 predictedDeepCCS 1.0 (2019) [M+H]+ 164.86006 predictedDeepCCS 1.0 (2019) [M+Na]+ 170.95322 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:48 / Updated at February 21, 2021 18:54