NAV

Zandelisib

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

Identification

Generic Name
Zandelisib
DrugBank Accession Number
DB18245
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 576.697
Monoisotopic: 576.313664202
Chemical Formula
C31H38F2N8O
Synonyms
  • 1,3,5-triazin-2-amine, 4-(2-(difluoromethyl)-1h-benzimidazol-1-yl)-n-(1,1-dimethyl-2-(2-(1-methyl-4-piperidinyl)phenyl)ethyl)-6-(4-morpholinyl)-
  • 4-(2-(difluoromethyl)benzimidazol-1-yl)-n-(1,1-dimethyl-2-(2-(1-methyl-4-piperidyl)phenyl)ethyl)-6-morpholino-1,3,5-triazin-2-amine
External IDs
  • ACC-524
  • ME-401
  • PW-143
  • PWT-143
  • PWT143
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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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
8Z28M5SX0X
CAS number
1401436-95-0
InChI Key
WPFUFWIHMYZXSF-UHFFFAOYSA-N
InChI
InChI=1S/C31H38F2N8O/c1-31(2,20-22-8-4-5-9-23(22)21-12-14-39(3)15-13-21)38-28-35-29(40-16-18-42-19-17-40)37-30(36-28)41-25-11-7-6-10-24(25)34-27(41)26(32)33/h4-11,21,26H,12-20H2,1-3H3,(H,35,36,37,38)
IUPAC Name
4-[2-(difluoromethyl)-1H-1,3-benzodiazol-1-yl]-N-{2-methyl-1-[2-(1-methylpiperidin-4-yl)phenyl]propan-2-yl}-6-(morpholin-4-yl)-1,3,5-triazin-2-amine
SMILES
CN1CCC(CC1)C1=CC=CC=C1CC(C)(C)NC1=NC(=NC(=N1)N1C(=NC2=CC=CC=C12)C(F)F)N1CCOCC1

References

General References
Not Available
ChemSpider
57617733
ChEMBL
CHEMBL4650214
ZINC
ZINC000148868634

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentFollicular Lymphoma ( FL) / Marginal Zone Lymphoma (MZL) / Non-Hodgkin's Lymphoma (NHL)1
2Active Not RecruitingTreatmentIndolent B-cell non-Hodgkin Lymphoma (NHL)1
2TerminatedTreatmentFollicular Lymphoma ( FL) / Marginal Zone Lymphoma (MZL) / Non-Hodgkin's Lymphoma (NHL)1
2WithdrawnTreatmentChronic Lymphocytic Leukemia1
1Active Not RecruitingTreatmentRelapsed or Refractory Indolent B-cell Non-Hodgkin's Lymphoma1

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
logP6.16Chemaxon
pKa (Strongest Acidic)14.23Chemaxon
pKa (Strongest Basic)9.06Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area84.23 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity173.68 m3·mol-1Chemaxon
Polarizability61.82 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 15, 2023 14:11 / Updated at September 17, 2023 04:15