Pelabresib anhydrous

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

Identification

Generic Name
Pelabresib anhydrous
DrugBank Accession Number
DB17129
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 365.82
Monoisotopic: 365.0931045
Chemical Formula
C20H16ClN3O2
Synonyms
  • 2-((4s)-6-(4-chlorophenyl)-1-methyl-4h-isoxazolo(5,4-d)(2)benzazepin-4-yl)acetamide
  • 4h-isoxazolo(5,4-d)(2)benzazepine-4-acetamide, 6-(4-chlorophenyl)-1-methyl-, (4s)
  • CPI-0610 anhydrous
  • Pelabresib
External IDs
  • CPI-232
  • CPI-267232

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.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Pelabresib monohydrate306QR91I9R1845726-14-8LXMGXMQQJNULPR-NTISSMGPSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
U4017GUQ06
CAS number
1380087-89-7
InChI Key
GCWIQUVXWZWCLE-INIZCTEOSA-N
InChI
InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1
IUPAC Name
2-[(7S)-9-(4-chlorophenyl)-3-methyl-5-oxa-4,8-diazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),2(6),3,8,11,13-hexaen-7-yl]acetamide
SMILES
CC1=NOC2=C1C1=C(C=CC=C1)C(=N[C@H]2CC(N)=O)C1=CC=C(Cl)C=C1

References

General References
Not Available
ChemSpider
32738784
BindingDB
50510872
ChEBI
189653
ChEMBL
CHEMBL4303404
ZINC
ZINC000200480149
PDBe Ligand
62G
PDB Entries
5hls

Clinical Trials

Clinical Trials

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 Solubility0.0197 mg/mLALOGPS
logP4.05ALOGPS
logP3.06Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)15.49Chemaxon
pKa (Strongest Basic)3.64Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area81.48 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity100.27 m3·mol-1Chemaxon
Polarizability37.77 Å3Chemaxon
Number of Rings4Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 17, 2022 22:19 / Updated at September 28, 2023 05:47