Enitociclib
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Identification
- Generic Name
- Enitociclib
- DrugBank Accession Number
- DB17297
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- 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
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
- ChemSpider
- 81367557
- ChEMBL
- CHEMBL4762845
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Active Not Recruiting Treatment Neoplasm 1 1 Completed Treatment Neoplasms, Hematologic 1 1 Terminated Treatment Chronic Lymphocytic Leukemia / MYC Amplification / MYC Overexpression / MYC Translocation / Non-Hodgkin's Lymphoma, Relapsed / Refractory Chronic Lymphocytic Leukemia (CLL) / Richter's Syndrome 1 1, 2 Recruiting Treatment Hematological 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
Property Value Source Water Solubility 0.00776 mg/mL ALOGPS logP 3.71 ALOGPS logP 2.56 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 13.52 Chemaxon pKa (Strongest Basic) 4.46 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 87.96 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 103.02 m3·mol-1 Chemaxon Polarizability 39.71 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 02, 2022 19:26 / Updated at October 13, 2023 20:26