Murepavadin

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
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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.
DrugInteraction
AcenocoumarolThe risk or severity of bleeding can be increased when Murepavadin is combined with Acenocoumarol.
AmbroxolThe risk or severity of methemoglobinemia can be increased when Murepavadin is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Murepavadin is combined with Articaine.
BCG vaccineThe therapeutic efficacy of BCG vaccine can be decreased when used in combination with Murepavadin.
BenzocaineThe 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
ChemSpider
64848999
ChEMBL
CHEMBL3946483
Wikipedia
Murepavadin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentPneumonia2
2CompletedTreatmentLower Respiratory Infection / Ventilator Associated Bacterial Pneumonia (VABP)1
2TerminatedTreatmentBronchiectasis / Lower Respiratory Infection1
1CompletedBasic ScienceImpaired Renal Function1
1CompletedTreatmentHealthy 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
PropertyValueSource
Water Solubility0.173 mg/mLALOGPS
logP-0.8ALOGPS
logP-9.8Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)11.7Chemaxon
pKa (Strongest Basic)10.32Chemaxon
Physiological Charge6Chemaxon
Hydrogen Acceptor Count22Chemaxon
Hydrogen Donor Count22Chemaxon
Polar Surface Area617.98 Å2Chemaxon
Rotatable Bond Count21Chemaxon
Refractivity403.1 m3·mol-1Chemaxon
Polarizability161.06 Å3Chemaxon
Number of Rings7Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0000090000-d578af0fab3c9e5877d8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ue9-0000090000-412e1c62e5cb1357f2b9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kr-0000090000-a40fa2512244757c0418
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ue9-0100690000-84c9c38cf4ca1ae82e82
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ue9-0900020000-4dbf4f69ebe84e6fbf2d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00lr-1902520000-6f46b796d0578991ebea
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:26 / Updated at February 21, 2021 18:54