Nolasiban
Star0
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
- Weight
- Average: 338.407
Monoisotopic: 338.163042576 - Chemical Formula
- C20H22N2O3
- Synonyms
- Erlosiban
- Nolasiban
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
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
- External Links
- ChemSpider
- 26350515
- ChEMBL
- CHEMBL1254025
- ZINC
- ZINC000064491763
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Infertility 2
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 0.0406 mg/mL ALOGPS logP 2.21 ALOGPS logP 2.93 Chemaxon logS -3.9 ALOGPS pKa (Strongest Acidic) 15.08 Chemaxon pKa (Strongest Basic) 2.5 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 62.13 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 97.15 m3·mol-1 Chemaxon Polarizability 37.99 Å3 Chemaxon Number of Rings 3 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 splash10-0079-0229000000-04956b6484b9edbb588d Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-0193000000-6c096d24b4b9a6941ff0 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004r-0591000000-ebc97f5fa55d57f56612 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-000b-0927000000-7b4ffc97972413bd1d32 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-3911000000-7ab70d9a38ffc69c96c3 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03xr-0790000000-a88a9efaf30adf4cb39c Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 15, 2020 18:17 / Updated at February 21, 2021 18:55