Laniquidar
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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
- Laniquidar
- DrugBank Accession Number
- DB12799
- Background
Laniquidar has been used in trials studying the treatment of Breast Cancer.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 584.72
Monoisotopic: 584.278741035 - Chemical Formula
- C37H36N4O3
- Synonyms
- Laniquidar
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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbemaciclib The serum concentration of Abemaciclib can be increased when it is combined with Laniquidar. Afatinib The serum concentration of Afatinib can be increased when it is combined with Laniquidar. Ambrisentan The serum concentration of Ambrisentan can be increased when it is combined with Laniquidar. Apixaban The serum concentration of Apixaban can be increased when it is combined with Laniquidar. Avanafil The serum concentration of Avanafil can be increased when it is combined with Laniquidar. - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzazepines. These are organic compounds containing a benzene ring fused to an azepine ring (unsaturated seven-membered heterocycle with one nitrogen atom replacing a carbon atom).
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzazepines
- Sub Class
- Not Available
- Direct Parent
- Benzazepines
- Alternative Parents
- Quinolines and derivatives / Phenethylamines / Phenol ethers / Phenoxy compounds / Alkyl aryl ethers / Aralkylamines / Azepines / Carbonylimidazoles / N-substituted imidazoles / Pyridines and derivatives show 10 more
- Substituents
- Alkyl aryl ether / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Azepine / Azole / Benzazepine / Benzenoid show 25 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- K3FRN4DDOY
- CAS number
- 197509-46-9
- InChI Key
- TULGGJGJQXESOO-UHFFFAOYSA-N
- InChI
- InChI=1S/C37H36N4O3/c1-43-37(42)34-24-38-36-35(32-8-4-2-6-27(32)19-23-41(34)36)29-17-21-40(22-18-29)20-16-26-10-14-31(15-11-26)44-25-30-13-12-28-7-3-5-9-33(28)39-30/h2-15,24H,16-23,25H2,1H3
- IUPAC Name
- methyl 2-[1-(2-{4-[(quinolin-2-yl)methoxy]phenyl}ethyl)piperidin-4-ylidene]-4,7-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),3,5,10,12-pentaene-6-carboxylate
- SMILES
- COC(=O)C1=CN=C2N1CCC1=CC=CC=C1C2=C1CCN(CCC2=CC=C(OCC3=CC=C4C=CC=CC4=N3)C=C2)CC1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 6450806
- PubChem Substance
- 347828975
- ChemSpider
- 4953357
- ChEMBL
- CHEMBL539378
- ZINC
- ZINC000003937143
- Wikipedia
- Laniquidar
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Breast Cancer 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 0.000453 mg/mL ALOGPS logP 6.11 ALOGPS logP 6.28 Chemaxon logS -6.1 ALOGPS pKa (Strongest Basic) 8.11 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 69.48 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 182.16 m3·mol-1 Chemaxon Polarizability 67.99 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 256.9100231 predictedDarkChem Lite v0.1.0 [M-H]- 223.38347 predictedDeepCCS 1.0 (2019) [M+H]+ 257.9794231 predictedDarkChem Lite v0.1.0 [M+H]+ 225.77904 predictedDeepCCS 1.0 (2019) [M+Na]+ 258.2222231 predictedDarkChem Lite v0.1.0 [M+Na]+ 231.69191 predictedDeepCCS 1.0 (2019)
Transporters
1. DetailsP-glycoprotein 1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- Xenobiotic-transporting atpase activity
- Specific Function
- Energy-dependent efflux pump responsible for decreased drug accumulation in multidrug-resistant cells.
- Gene Name
- ABCB1
- Uniprot ID
- P08183
- Uniprot Name
- Multidrug resistance protein 1
- Molecular Weight
- 141477.255 Da
References
- Luurtsema G, Schuit RC, Klok RP, Verbeek J, Leysen JE, Lammertsma AA, Windhorst AD: Evaluation of [11C]laniquidar as a tracer of P-glycoprotein: radiosynthesis and biodistribution in rats. Nucl Med Biol. 2009 Aug;36(6):643-9. doi: 10.1016/j.nucmedbio.2009.03.004. [Article]
Drug created at October 21, 2016 00:20 / Updated at February 21, 2021 18:53