NAV

Nolasiban

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

Identification

Generic Name
Nolasiban
DrugBank Accession Number
DB16259
Background

Nolasiban is under investigation in clinical trial NCT03081208 (Phase 3 Placebo Controlled Study of Nolasiban to Improve Pregnancy Rates in Women Undergoing IVF/ICSI).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 338.407
Monoisotopic: 338.163042576
Chemical Formula
C20H22N2O3
Synonyms
  • Erlosiban
  • Nolasiban
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Pharmacology

Indication

Not Available

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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
3765U8A1EC
CAS number
1477482-19-1
InChI Key
OLUJSZLBWZWGJT-HGBKYHTQSA-N
InChI
InChI=1S/C20H22N2O3/c1-14-5-3-4-6-19(14)15-7-9-16(10-8-15)20(24)22-12-17(21-25-2)11-18(22)13-23/h3-10,18,23H,11-13H2,1-2H3/b21-17-/t18-/m0/s1
IUPAC Name
[(2S,4Z)-4-(methoxyimino)-1-{2'-methyl-[1,1'-biphenyl]-4-carbonyl}pyrrolidin-2-yl]methanol
SMILES
CO\N=C1\C[C@@H](CO)N(C1)C(=O)C1=CC=C(C=C1)C1=C(C)C=CC=C1

References

General References
Not Available
ChemSpider
26350515
ChEMBL
CHEMBL1254025
ZINC
ZINC000064491763

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentInfertility2

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 Solubility0.0406 mg/mLALOGPS
logP2.21ALOGPS
logP2.93Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)15.08Chemaxon
pKa (Strongest Basic)2.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area62.13 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity97.15 m3·mol-1Chemaxon
Polarizability37.99 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-0079-0229000000-04956b6484b9edbb588d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0193000000-6c096d24b4b9a6941ff0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004r-0591000000-ebc97f5fa55d57f56612
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000b-0927000000-7b4ffc97972413bd1d32
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-3911000000-7ab70d9a38ffc69c96c3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03xr-0790000000-a88a9efaf30adf4cb39c
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:17 / Updated at February 21, 2021 18:55