Anlotinib
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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
- 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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- 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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Anlotinib hydrochloride A3749M6582 1360460-82-7 Not 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
- External Links
- Human Metabolome Database
- HMDB0248447
- PubChem Compound
- 25017411
- PubChem Substance
- 347828221
- ChemSpider
- 45743493
- ChEMBL
- CHEMBL4303201
- ZINC
- ZINC000117924202
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment Soft Tissue Sarcoma 1 4 Enrolling by Invitation Treatment Retroperitoneal Sarcoma 1 4 Not Yet Recruiting Treatment Advanced Non-Small Cell Lung Cancer (NSCLC) 1 4 Not Yet Recruiting Treatment Non-Small Cell Lung Cancer (NSCLC) 1 4 Recruiting Treatment Advanced Thyroid Cancer Patients Who Received Target Therapy 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 0.00238 mg/mL ALOGPS logP 3.7 ALOGPS logP 3.35 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) 16.65 Chemaxon pKa (Strongest Basic) 9.39 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 82.39 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 110.65 m3·mol-1 Chemaxon Polarizability 42.95 Å3 Chemaxon Number of Rings 5 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0002900000-a756674c802d50c54f9c Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-052r-0309600000-c08e771b5b2d33b2ceaf Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4l-2009700000-562b1fcf3b1e24fadd58 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4r-0009600000-3b190e09c1d495d21e0d Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0abi-1109100000-223b22b1a159daa608f6 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0fgc-4219000000-18d5e374a2b744aa5fd1 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]- 202.50774 predictedDeepCCS 1.0 (2019) [M+H]+ 204.86572 predictedDeepCCS 1.0 (2019) [M+Na]+ 211.69273 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 20:57 / Updated at December 13, 2022 10:46