NAV

Briciclib

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

Identification

Generic Name
Briciclib
DrugBank Accession Number
DB12004
Background

Briciclib has been used in trials studying the treatment of Lymphoma, Neoplasms, Advanced Solid Tumor, and Acute Lymphocytic Leukemia.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 474.42
Monoisotopic: 474.074955113
Chemical Formula
C19H23O10PS
Synonyms
  • Briciclib
External IDs
  • ON 014185
  • ON-014185
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Briciclib Sodium7C9N0VM8NR865784-01-6MIBWXNAYNGADJD-MIIBGCIDSA-L

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenyl phosphates. These are aromatic organooxygen compounds containing a phosphate group, which is O-esterified with a phenyl group.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Organic phosphoric acids and derivatives
Sub Class
Phosphate esters
Direct Parent
Phenyl phosphates
Alternative Parents
Styrenes / Phenoxy compounds / Methoxybenzenes / Anisoles / Alkyl aryl ethers / Sulfones / Organic oxides / Hydrocarbon derivatives
Substituents
Alkyl aryl ether / Anisole / Aromatic homomonocyclic compound / Benzenoid / Ether / Hydrocarbon derivative / Methoxybenzene / Monocyclic benzene moiety / Organic oxide / Organic oxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
WG93X96336
CAS number
865783-99-9
InChI Key
LXENKEWVEVKKGV-BQYQJAHWSA-N
InChI
InChI=1S/C19H23O10PS/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22/h5-11H,12H2,1-4H3,(H2,20,21,22)/b8-7+
IUPAC Name
(2-methoxy-5-{[(E)-2-(2,4,6-trimethoxyphenyl)ethenesulfonyl]methyl}phenoxy)phosphonic acid
SMILES
COC1=CC(OC)=C(\C=C\S(=O)(=O)CC2=CC=C(OC)C(OP(O)(O)=O)=C2)C(OC)=C1

References

General References
Not Available
PubChem Compound
11248490
PubChem Substance
347828322
ChemSpider
9423523
ChEMBL
CHEMBL1206245
ZINC
ZINC000028965775

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1TerminatedTreatmentAcute Lymphocytic Leukemia (ALL) / Lymphoma1
1TerminatedTreatmentAdvanced Solid Tumors / Neoplasm1

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 Solubility0.0788 mg/mLALOGPS
logP1.68ALOGPS
logP1.32Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)1.62Chemaxon
pKa (Strongest Basic)-4.3Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area137.82 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity113.07 m3·mol-1Chemaxon
Polarizability45.06 Å3Chemaxon
Number of Rings2Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0000900000-345bfe27698b66152c24
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-4c8ce50222919b0c59d4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004l-1012900000-2c599a51f743907b4ba2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9000000000-311a84cf7c23e2518da6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01t9-9000000000-81ade3795192a566d973
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004r-0769200000-134374cd448ac6a0b2fb
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-199.6715
predicted
DeepCCS 1.0 (2019)
[M+H]+202.06705
predicted
DeepCCS 1.0 (2019)
[M+Na]+209.3694
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:10 / Updated at February 21, 2021 18:53