NVP-LEQ-506
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- NVP-LEQ-506
- DrugBank Accession Number
- DB12857
- Background
LEQ506 has been used in trials studying the treatment of Advanced Solid Tumors, Recurrent or Refractory Medulloblastoma, and Locally Advanced or Metastatic Basal Cell Carcinoma.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 432.572
Monoisotopic: 432.263759674 - Chemical Formula
- C25H32N6O
- Synonyms
- Not Available
- External IDs
- LEQ-506
- LEQ506
- NVP-LEQ506
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Diazinanes
- Sub Class
- Piperazines
- Direct Parent
- N-arylpiperazines
- Alternative Parents
- Dialkylarylamines / Aminopyridazines / Aminopyrazines / Imidolactams / Benzene and substituted derivatives / Tertiary alcohols / Heteroaromatic compounds / Azacyclic compounds / Hydrocarbon derivatives / Aromatic alcohols
- Substituents
- Alcohol / Amine / Aminopyrazine / Aminopyridazine / Aromatic alcohol / Aromatic heteromonocyclic compound / Azacycle / Benzenoid / Dialkylarylamine / Heteroaromatic compound
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6SJX1T5HJD
- CAS number
- 1204975-42-7
- InChI Key
- POERAARDVFVDLO-QGZVFWFLSA-N
- InChI
- InChI=1S/C25H32N6O/c1-17-16-30(11-12-31(17)23-15-26-22(14-27-23)25(4,5)32)24-19(3)18(2)21(28-29-24)13-20-9-7-6-8-10-20/h6-10,14-15,17,32H,11-13,16H2,1-5H3/t17-/m1/s1
- IUPAC Name
- 2-{5-[(2R)-4-(6-benzyl-4,5-dimethylpyridazin-3-yl)-2-methylpiperazin-1-yl]pyrazin-2-yl}propan-2-ol
- SMILES
- C[C@@H]1CN(CCN1C1=CN=C(C=N1)C(C)(C)O)C1=NN=C(CC2=CC=CC=C2)C(C)=C1C
References
- General References
- Not Available
- External Links
- PubChem Compound
- 45100669
- PubChem Substance
- 347829016
- ChemSpider
- 34222891
- ChEMBL
- CHEMBL3133037
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Advanced Solid Tumors / Locally Advanced or Metastatic Basal Cell Carcinoma / Recurrent or Refractory Medulloblastoma 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 0.0331 mg/mL ALOGPS logP 3.54 ALOGPS logP 4.1 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 13.84 Chemaxon pKa (Strongest Basic) 5.02 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 78.27 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 130.37 m3·mol-1 Chemaxon Polarizability 49.55 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0000900000-0a11d9912490a2b3b461 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-0000900000-a96d032cfe25363685dd Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0002900000-d5e3ba2b57e5f47f1f7f Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00lr-0017900000-3c1cb6b830d1313f9095 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0v5a-0219600000-1ea83dc25ebb6271a36d Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-02u0-0879400000-ed4d88bf96dbeba9a8f1 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 196.2683 predictedDeepCCS 1.0 (2019) [M+H]+ 198.66386 predictedDeepCCS 1.0 (2019) [M+Na]+ 204.61827 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 00:46 / Updated at June 12, 2020 16:53