NAV

Enitociclib

Identification

Generic Name
Enitociclib
DrugBank Accession Number
DB17297
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 404.44
Monoisotopic: 404.111853336
Chemical Formula
C19H18F2N4O2S
Synonyms
  • 2-pyridinamine, 5-fluoro-4-(4-fluoro-2-methoxyphenyl)-n-(4-(((s(s))-s-methylsulfonimidoyl)methyl)-2-pyridinyl)-
External IDs
  • BAY-1251152
  • VIP152
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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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
1255AT22ZJ
CAS number
1610408-97-3
InChI Key
YZCUMZWULWOUMD-NDEPHWFRSA-N
InChI
InChI=1S/C19H18F2N4O2S/c1-27-17-8-13(20)3-4-14(17)15-9-19(24-10-16(15)21)25-18-7-12(5-6-23-18)11-28(2,22)26/h3-10,22H,11H2,1-2H3,(H,23,24,25)/t28-/m0/s1
IUPAC Name
(S)-[(2-{[5-fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl]amino}pyridin-4-yl)methyl](imino)methyl-lambda6-sulfanone
SMILES
COC1=C(C=CC(F)=C1)C1=CC(NC2=NC=CC(C[S@@](C)(=N)=O)=C2)=NC=C1F

References

General References
Not Available
ChemSpider
81367557
ChEMBL
CHEMBL4762845

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentNeoplasm1
1CompletedTreatmentNeoplasms, Hematologic1
1TerminatedTreatmentChronic Lymphocytic Leukemia / MYC Amplification / MYC Overexpression / MYC Translocation / Non-Hodgkin's Lymphoma, Relapsed / Refractory Chronic Lymphocytic Leukemia (CLL) / Richter's Syndrome1
1, 2RecruitingTreatmentHematological Malignancy / Lymphoid Malignancies / Lymphoma / Non-Hodgkin's Lymphoma (NHL)1

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 Solubility0.00776 mg/mLALOGPS
logP3.71ALOGPS
logP2.56Chemaxon
logS-4.7ALOGPS
pKa (Strongest Acidic)13.52Chemaxon
pKa (Strongest Basic)4.46Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area87.96 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity103.02 m3·mol-1Chemaxon
Polarizability39.71 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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 December 02, 2022 19:26 / Updated at October 13, 2023 20:26