NAV

Avotaciclib

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

Identification

Generic Name
Avotaciclib
DrugBank Accession Number
DB16652
Background

Avotaciclib is under investigation in clinical trial NCT03579836 (Evaluation of Safety and Efficacy in BEY1107 in Monotherapy Gemcitabine Combination in Patient With Pancreatic Cancer).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 281.279
Monoisotopic: 281.102508002
Chemical Formula
C13H11N7O
Synonyms
  • 2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol
  • Avotaciclib
External IDs
  • BEY 1107
  • BEY-1107
  • BEY1107
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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
TargetActionsOrganism
UCyclin-dependent kinase 1
inhibitor
Humans
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
Avotaciclib sulfate0M760UF9EV1983984-04-8SOYPPDFOEBVLDG-UHFFFAOYSA-N
Avotaciclib trihydrochloride8O91L56L8V1983984-01-5YUNYDIDVURXULR-UHFFFAOYSA-N

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Z6BYC0F36E
CAS number
1983983-41-0
InChI Key
VFVAQKKPFOPZEA-UHFFFAOYSA-N
InChI
InChI=1S/C13H11N7O/c14-12-16-5-3-8(19-12)7-1-2-10(21)11(18-7)9-4-6-17-13(15)20-9/h1-6,21H,(H2,14,16,19)(H2,15,17,20)
IUPAC Name
2,6-bis(2-aminopyrimidin-4-yl)pyridin-3-ol
SMILES
NC1=NC=CC(=N1)C1=NC(=C(O)C=C1)C1=NC(N)=NC=C1

References

General References
Not Available
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1RecruitingTreatmentGlioblastoma Multiforme (GBM)1
1, 2RecruitingTreatmentMetastatic Colorectal Cancer (CRC)1
1, 2Unknown StatusTreatmentLocally Advanced or Metastatic Pancreatic Cancer1

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 Solubility0.417 mg/mLALOGPS
logP1.16ALOGPS
logP1.14Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)7.69Chemaxon
pKa (Strongest Basic)3.67Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area136.72 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity77.29 m3·mol-1Chemaxon
Polarizability28.16 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-001i-0090000000-708ba98081b8f4bd945a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-489d76aaf728bdf204bd
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01q9-0090000000-b23e20c1be97a4d2a32c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-8595f990148b5a5954c6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-029f-7690000000-1c92566e99cd4ac13346
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0290000000-71b7ee4e04a58de3c8f1
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Targets

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Details1. Cyclin-dependent kinase 1
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
Actions
Inhibitor
General Function
Rna polymerase ii carboxy-terminal domain kinase activity
Specific Function
Plays a key role in the control of the eukaryotic cell cycle by modulating the centrosome cycle as well as mitotic onset; promotes G2-M transition, and regulates G1 progress and G1-S transition via...
Gene Name
CDK1
Uniprot ID
P06493
Uniprot Name
Cyclin-dependent kinase 1
Molecular Weight
34095.14 Da

Drug created at March 24, 2021 23:05 / Updated at March 26, 2021 04:01