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

Identification

Generic Name
Anlotinib
DrugBank Accession Number
DB11885
Background

Anlotinib has been investigated for the treatment of Non-small Cell Lung Cancer and Metastatic Colorectal Cancer.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 407.445
Monoisotopic: 407.164519743
Chemical Formula
C23H22FN3O3
Synonyms
  • 1-((4-(4-fluoro-2-methyl-1h-indol-5-yloxy)-6-methoxyquinolin-7-yloxy)methyl)cyclopropan-amine
  • Catequentinib
External IDs
  • AL 3818
  • AL-3818
  • AL3818

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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Anlotinib hydrochlorideA3749M65821360460-82-7Not applicable

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Ethers
Direct Parent
Diarylethers
Alternative Parents
Quinolines and derivatives / Indoles / Anisoles / Alkyl aryl ethers / Substituted pyrroles / Pyridines and derivatives / Aryl fluorides / Heteroaromatic compounds / Azacyclic compounds / Organofluorides
show 2 more
Substituents
Alkyl aryl ether / Amine / Anisole / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Diaryl ether / Heteroaromatic compound
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
GKF8S4C432
CAS number
1058156-90-3
InChI Key
KSMZEXLVHXZPEF-UHFFFAOYSA-N
InChI
InChI=1S/C23H22FN3O3/c1-13-9-15-16(27-13)3-4-19(22(15)24)30-18-5-8-26-17-11-21(20(28-2)10-14(17)18)29-12-23(25)6-7-23/h3-5,8-11,27H,6-7,12,25H2,1-2H3
IUPAC Name
1-[({4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxyquinolin-7-yl}oxy)methyl]cyclopropan-1-amine
SMILES
COC1=CC2=C(OC3=CC=C4NC(C)=CC4=C3F)C=CN=C2C=C1OCC1(N)CC1

References

General References
Not Available
Human Metabolome Database
HMDB0248447
PubChem Compound
25017411
PubChem Substance
347828221
ChemSpider
45743493
ChEMBL
CHEMBL4303201
ZINC
ZINC000117924202

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentSoft Tissue Sarcoma1
4Not Yet RecruitingTreatmentNon-Small Cell Lung Cancer (NSCLC)1
4RecruitingTreatmentHead And Neck Cancer1
4Unknown StatusTreatmentAdvanced Non Squamous NSCLC2
4Unknown StatusTreatmentNon-Small Cell Lung Cancer (NSCLC)1
4Unknown StatusTreatmentNon-squamous Non-small-cell Lung Cancer (NSQ NSCLC)1
4Unknown StatusTreatmentSmall Cell Lung Cancer (SCLC)1
3Active Not RecruitingTreatmentAlveolar Soft Part Sarcoma (ASPS) / Leiomyosarcoma (LMS) / Soft Tissue Sarcoma / Synovial Sarcoma1
3Active Not RecruitingTreatmentStage IV Non-small Cell Lung Cancer (NSCLC)1
3Not Yet RecruitingTreatmentAdvanced Gastric and Gastro-oesophageal Junction Adenocarcinoma1

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 Solubility0.00238 mg/mLALOGPS
logP3.7ALOGPS
logP3.35Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)16.65Chemaxon
pKa (Strongest Basic)9.39Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area82.39 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity110.65 m3·mol-1Chemaxon
Polarizability42.95 Å3Chemaxon
Number of Rings5Chemaxon
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 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

Drug created at October 20, 2016 20:57 / Updated at December 13, 2022 10:46