Laniquidar

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

Identification

Name
Laniquidar
Accession Number
DB12799
Type
Small Molecule
Groups
Investigational
Description

Laniquidar has been used in trials studying the treatment of Breast Cancer.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
K3FRN4DDOY
CAS number
197509-46-9
Weight
Average: 584.72
Monoisotopic: 584.278741035
Chemical Formula
C37H36N4O3
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AcebutololThe serum concentration of Acebutolol can be increased when it is combined with Laniquidar.
Acetylsalicylic acidThe serum concentration of Acetylsalicylic acid can be increased when it is combined with Laniquidar.
AmitriptylineThe serum concentration of Amitriptyline can be increased when it is combined with Laniquidar.
Ascorbic acidThe serum concentration of Ascorbic acid can be increased when it is combined with Laniquidar.
BetamethasoneThe serum concentration of Betamethasone can be increased when it is combined with Laniquidar.
CarbamazepineThe serum concentration of Carbamazepine can be increased when it is combined with Laniquidar.
ChlorambucilThe serum concentration of Chlorambucil can be increased when it is combined with Laniquidar.
ChlorpromazineThe serum concentration of Chlorpromazine can be increased when it is combined with Laniquidar.
CimetidineThe serum concentration of Cimetidine can be increased when it is combined with Laniquidar.
CiprofloxacinThe serum concentration of Ciprofloxacin can be increased when it is combined with Laniquidar.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
6450806
PubChem Substance
347828975
ChemSpider
4953357
ChEMBL
CHEMBL539378
Wikipedia
Laniquidar

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCancer, Breast1

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 Solubility0.000453 mg/mLALOGPS
logP6.11ALOGPS
logP6.28ChemAxon
logS-6.1ALOGPS
pKa (Strongest Basic)8.11ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area69.48 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity182.16 m3·mol-1ChemAxon
Polarizability67.99 Å3ChemAxon
Number of Rings7ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Benzazepine / Quinoline / Phenethylamine / Phenoxy compound / Phenol ether / Alkyl aryl ether / Azepine / Imidazole-4-carbonyl group / Aralkylamine / Benzenoid
show 25 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 18:20 / Updated on August 02, 2018 06:43