Molidustat
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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
- Molidustat
- DrugBank Accession Number
- DB15642
- Background
Molidustat is under investigation in clinical trial NCT03350321 (A Study of Molidustat for Correction of Renal Anemia in Non-dialysis Subjects).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 314.309
Monoisotopic: 314.123971723 - Chemical Formula
- C13H14N8O2
- Synonyms
- Molidustat
- External IDs
- BAY 85-3934
- BAY-85-3934
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.Not Available
- Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Molidustat sodium CI0NE7C96T 1375799-59-9 UIFNJDDKXYFTJS-UHFFFAOYSA-M
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
- Kingdom
- Organic compounds
- Super Class
- Organic nitrogen compounds
- Class
- Organonitrogen compounds
- Sub Class
- Amines
- Direct Parent
- Dialkylarylamines
- Alternative Parents
- Aminopyrimidines and derivatives / Pyrazolones / Morpholines / Imidolactams / Vinylogous amides / Triazoles / Pyrazoles / Heteroaromatic compounds / Lactams / Oxacyclic compounds show 4 more
- Substituents
- 1,2,3-triazole / Aminopyrimidine / Aromatic heteromonocyclic compound / Azacycle / Azole / Dialkyl ether / Dialkylarylamine / Ether / Heteroaromatic compound / Hydrocarbon derivative show 13 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 9JH486CZ13
- CAS number
- 1154028-82-6
- InChI Key
- IJMBOKOTALXLKS-UHFFFAOYSA-N
- InChI
- InChI=1S/C13H14N8O2/c22-13-10(20-2-1-16-18-20)8-17-21(13)12-7-11(14-9-15-12)19-3-5-23-6-4-19/h1-2,7-9,17H,3-6H2
- IUPAC Name
- 2-[6-(morpholin-4-yl)pyrimidin-4-yl]-4-(1H-1,2,3-triazol-1-yl)-2,3-dihydro-1H-pyrazol-3-one
- SMILES
- O=C1N(NC=C1N1C=CN=N1)C1=NC=NC(=C1)N1CCOCC1
References
- General References
- Not Available
- External Links
- ChemSpider
- 30922476
- BindingDB
- 118339
- 2637535
- ChEMBL
- CHEMBL3646118
- ZINC
- ZINC000167006010
- PDBe Ligand
- A1H
- Wikipedia
- Molidustat
- PDB Entries
- 5op8
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample dataNot Available Active Not Recruiting Not Available Renal Anemia 1 somestatus stop reason just information to hide 3 Completed Treatment Anemia / Renal Insufficiency,Chronic 5 somestatus stop reason just information to hide 2 Completed Treatment Anemia / Renal Insufficiency,Chronic 5 somestatus stop reason just information to hide 1 Completed Not Available Anemia 1 somestatus stop reason just information to hide 1 Completed Not Available Kidney Diseases 1 somestatus stop reason just information to hide
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 5.68 mg/mL ALOGPS logP -0.6 ALOGPS logP -0.33 Chemaxon logS -1.7 ALOGPS pKa (Strongest Acidic) 5.2 Chemaxon pKa (Strongest Basic) 4.7 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 101.3 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 104.13 m3·mol-1 Chemaxon Polarizability 31.02 Å3 Chemaxon Number of Rings 4 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0009000000-0493cd39e371905916de Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0159000000-cb9f0696c19d5a674310 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0059000000-bfd39261a084143fe96c Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-1971000000-affa76c831d9381f90f4 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0079-1290000000-33e3f9bd89d8aad9336b Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00dl-5950000000-32eda9cbaf26722525ad 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]- 187.9205778 predictedDarkChem Lite v0.1.0 [M+H]+ 188.3501778 predictedDarkChem Lite v0.1.0
Drug created at March 13, 2020 22:15 / Updated at February 21, 2021 18:55