JBPOS0101
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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
- JBPOS0101
- DrugBank Accession Number
- DB16034
- Background
JBPOS0101 is under investigation in clinical trial NCT03976076 (A Study of Orally Administered JBPOS0101 in Refractory Infantile Spasms Patients).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 229.66
Monoisotopic: 229.050571 - Chemical Formula
- C10H12ClNO3
- Synonyms
- Not Available
- External IDs
- JBPOS 0101
- JBPOS-0101
- JBPOS0101
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
- Not Available
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- D7NM51C3GU
- CAS number
- 1353949-71-9
- InChI Key
- TZOWVYPYWJLZTK-IMTBSYHQSA-N
- InChI
- InChI=1S/C10H12ClNO3/c1-6(15-10(12)14)9(13)7-4-2-3-5-8(7)11/h2-6,9,13H,1H3,(H2,12,14)/t6-,9+/m0/s1
- IUPAC Name
- (1S,2S)-1-(2-chlorophenyl)-1-hydroxypropan-2-yl carbamate
- SMILES
- C[C@H](OC(N)=O)[C@@H](O)C1=CC=CC=C1Cl
References
- General References
- Not Available
- External Links
- ChemSpider
- 64854348
- ChEMBL
- CHEMBL4594413
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Refractory Infantile Spasms 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 5.19 mg/mL ALOGPS logP 1.66 ALOGPS logP 1.7 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 13.25 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 72.55 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 55.89 m3·mol-1 Chemaxon Polarizability 21.97 Å3 Chemaxon Number of Rings 1 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 splash10-014i-0910000000-666558efb48c48b49879 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-00m3-7900000000-4fea7a09fcd64f59667f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-01ox-0900000000-23cb4ac0819ff49b67b9 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000x-9100000000-d937e560c4180647d7ea Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-3d1fa01f9f35f9ae4654 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0nmj-3900000000-ed84dbf25f906f1f563a 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 18:02 / Updated at July 18, 2023 22:58