Murepavadin
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Murepavadin
- DrugBank Accession Number
- DB14777
- Background
Murepavadin is under investigation in clinical trial NCT02110459 (Pharmacokinetics and Safety of POL7080 in Patients With Renal Impairment).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 1553.837
Monoisotopic: 1552.862665614 - Chemical Formula
- C73H112N22O16
- Synonyms
- Murepavadin
- External IDs
- POL7080
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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcenocoumarol The risk or severity of bleeding can be increased when Murepavadin is combined with Acenocoumarol. Ambroxol The risk or severity of methemoglobinemia can be increased when Murepavadin is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Murepavadin is combined with Articaine. BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Murepavadin. Benzocaine The risk or severity of methemoglobinemia can be increased when Murepavadin is combined with Benzocaine. - Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 0D02GRY87Z
- CAS number
- 944252-63-5
- InChI Key
- RIDRXGOBXZLKHZ-NZUANIILSA-N
- InChI
- InChI=1S/C73H112N22O16/c1-5-38(2)58-70(108)88-52(24-30-79)65(103)83-47(17-10-25-74)62(100)85-49(21-27-76)63(101)86-51(23-29-78)66(104)89-53(33-41-35-80-45-15-8-6-13-43(41)45)67(105)87-50(22-28-77)64(102)84-48(20-26-75)61(99)82-39(3)60(98)91-55(37-96)72(110)95-32-12-19-57(95)73(111)94-31-11-18-56(94)69(107)93-59(40(4)97)71(109)90-54(68(106)92-58)34-42-36-81-46-16-9-7-14-44(42)46/h6-9,13-16,35-36,38-40,47-59,80-81,96-97H,5,10-12,17-34,37,74-79H2,1-4H3,(H,82,99)(H,83,103)(H,84,102)(H,85,100)(H,86,101)(H,87,105)(H,88,108)(H,89,104)(H,90,109)(H,91,98)(H,92,106)(H,93,107)/t38-,39-,40+,47-,48-,49+,50-,51-,52-,53-,54-,55-,56-,57+,58-,59-/m0/s1
- IUPAC Name
- (3R,9S,12S,15S,18S,21S,24S,27R,30S,33S,36S,39S,42S,45S)-15,18,24,27,33-pentakis(2-aminoethyl)-30-(3-aminopropyl)-36-[(2S)-butan-2-yl]-42-[(1R)-1-hydroxyethyl]-9-(hydroxymethyl)-21,39-bis[(1H-indol-3-yl)methyl]-12-methyl-1,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaazatricyclo[43.3.0.0^{3,7}]octatetracontane-2,8,11,14,17,20,23,26,29,32,35,38,41,44-tetradecone
- SMILES
- CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCN)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O
References
- General References
- Not Available
- External Links
- ChemSpider
- 64848999
- ChEMBL
- CHEMBL3946483
- Wikipedia
- Murepavadin
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Terminated Treatment Pneumonia 2 2 Completed Treatment Lower Respiratory Infection / Ventilator Associated Bacterial Pneumonia (VABP) 1 2 Terminated Treatment Bronchiectasis / Lower Respiratory Infection 1 1 Completed Basic Science Impaired Renal Function 1 1 Completed Treatment Healthy Volunteers (HV) 1
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 0.173 mg/mL ALOGPS logP -0.8 ALOGPS logP -9.8 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 11.7 Chemaxon pKa (Strongest Basic) 10.32 Chemaxon Physiological Charge 6 Chemaxon Hydrogen Acceptor Count 22 Chemaxon Hydrogen Donor Count 22 Chemaxon Polar Surface Area 617.98 Å2 Chemaxon Rotatable Bond Count 21 Chemaxon Refractivity 403.1 m3·mol-1 Chemaxon Polarizability 161.06 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 14:26 / Updated at February 21, 2021 18:54