NAV

Olaparib-bodipy FL

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

Identification

Generic Name
Olaparib-bodipy FL
DrugBank Accession Number
DB16263
Background

Olaparib-bodipy FL is under investigation in clinical trial NCT03085147 (A Dye for the Detection of Cancer of the Tongue and Mouth).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 640.47
Monoisotopic: 640.258103
Chemical Formula
C34H32BF3N6O3
Synonyms
  • Olaparib-bodipy fl
  • PARPi-FL

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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
ZMX54372EH
CAS number
1380359-84-1
InChI Key
IGUTVNUEFKPBGK-UHFFFAOYSA-N
InChI
InChI=1S/C34H32BF3N6O3/c1-21-17-22(2)43-31(21)20-25-9-8-24(44(25)35(43,37)38)10-12-32(45)41-13-15-42(16-14-41)34(47)28-18-23(7-11-29(28)36)19-30-26-5-3-4-6-27(26)33(46)40-39-30/h3-9,11,17-18,20H,10,12-16,19H2,1-2H3,(H,40,46)
IUPAC Name
2,2-difluoro-12-[3-(4-{2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoyl}piperazin-1-yl)-3-oxopropyl]-4,6-dimethyl-1lambda5,3-diaza-2-boratricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide
SMILES
CC1=CC(C)=C2C=C3C=CC(CCC(=O)N4CCN(CC4)C(=O)C4=C(F)C=CC(CC5=NNC(=O)C6=CC=CC=C56)=C4)=[N+]3[B-](F)(F)N12

References

General References
Not Available
ChemSpider
64853833

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2RecruitingDiagnosticSquamous Cell Carcinoma of the Oral Cavity1

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 Solubility0.00171 mg/mLALOGPS
logP3.15ALOGPS
logP-1Chemaxon
logS-5.6ALOGPS
pKa (Strongest Acidic)9.96Chemaxon
pKa (Strongest Basic)-1.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area90.02 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity176.35 m3·mol-1Chemaxon
Polarizability65.58 Å3Chemaxon
Number of Rings7Chemaxon
Bioavailability1Chemaxon
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

Drug created at December 15, 2020 18:17 / Updated at December 20, 2020 03:40