Narlaprevir

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Narlaprevir
DrugBank Accession Number
DB14760
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 707.97
Monoisotopic: 707.429170498
Chemical Formula
C36H61N5O7S
Synonyms
  • Narlaprevir
External IDs
  • SCH 900518
  • SCH-900518
  • SCH900518

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
2857LA2O07
CAS number
865466-24-6
InChI Key
RICZEKWVNZFTNZ-IOBYQIKSSA-N
InChI
InChI=1S/C36H61N5O7S/c1-10-11-15-24(27(42)30(44)37-22-16-17-22)38-29(43)26-25-23(35(25,8)9)20-41(26)31(45)28(33(2,3)4)39-32(46)40-36(18-13-12-14-19-36)21-49(47,48)34(5,6)7/h22-26,28H,10-21H2,1-9H3,(H,37,44)(H,38,43)(H2,39,40,46)/t23-,24?,25-,26?,28?/m0/s1
IUPAC Name
N-cyclopropyl-3-{[(1R,5S)-3-{3,3-dimethyl-2-[({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)amino]butanoyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]formamido}-2-oxoheptanamide
SMILES
CCCCC(NC(=O)C1[C@@H]2[C@H](CN1C(=O)C(NC(=O)NC1(CS(=O)(=O)C(C)(C)C)CCCCC1)C(C)(C)C)C2(C)C)C(=O)C(=O)NC1CC1

References

General References
Not Available
Wikipedia
Narlaprevir

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentHepatitis C Virus (HCV) Infection1
2CompletedTreatmentChronic Hepatitis C Genotype 11
2CompletedTreatmentChronic hepatitis C genotype 1b1
2CompletedTreatmentChronic Hepatitis C Virus (HCV) Infection1
2, 3TerminatedOtherChronic Hepatitis C Virus (HCV) Infection / Hepacivirus1

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 Solubility0.00964 mg/mLALOGPS
logP3.44ALOGPS
logP3.5Chemaxon
logS-4.9ALOGPS
pKa (Strongest Acidic)12.32Chemaxon
pKa (Strongest Basic)-0.41Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area170.85 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity186.29 m3·mol-1Chemaxon
Polarizability76.76 Å3Chemaxon
Number of Rings4Chemaxon
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/MSsplash10-08fs-0412394500-a9517eceb01ea90de2e5
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9561025800-152b5c747fa049d88e65
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-2001592200-590eeef52c89242e1a35
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-3209200000-ce2bbe35e8b7a1dd5029
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-4513290000-c506307a63acc494889f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9200113100-5f6c4fefface97f750d2
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at April 23, 2019 22:10 / Updated at February 21, 2021 18:54