Cipargamin
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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
- Cipargamin
- DrugBank Accession Number
- DB12306
- Background
Cipargamin has been used in trials studying the treatment of Malaria, Cure Rate, and Plasmodium Falciparum Malaria.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 390.24
Monoisotopic: 389.0497956 - Chemical Formula
- C19H14Cl2FN3O
- Synonyms
- Cipargamin
- External IDs
- KAE-609
- KAE609
- NITD-609
- NITD-609, (+)-
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as harmala alkaloids. These are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole.
- Kingdom
- Organic compounds
- Super Class
- Alkaloids and derivatives
- Class
- Harmala alkaloids
- Sub Class
- Not Available
- Direct Parent
- Harmala alkaloids
- Alternative Parents
- Beta carbolines / Alpha amino acid amides / 3-alkylindoles / Indolines / Aralkylamines / Aryl chlorides / Aryl fluorides / Benzenoids / Pyrroles / Heteroaromatic compounds show 9 more
- Substituents
- 3-alkylindole / Alpha-amino acid amide / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aralkylamine / Aromatic heteropolycyclic compound / Aryl chloride / Aryl fluoride / Aryl halide show 27 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Z7Q4FWA04P
- CAS number
- 1193314-23-6
- InChI Key
- CKLPLPZSUQEDRT-WPCRTTGESA-N
- InChI
- InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1
- IUPAC Name
- (3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methyl-1,2,2',3',4',9'-hexahydrospiro[indole-3,1'-pyrido[3,4-b]indole]-2-one
- SMILES
- C[C@H]1CC2=C(NC3=CC(Cl)=C(F)C=C23)[C@@]2(N1)C(=O)NC1=CC=C(Cl)C=C21
References
- General References
- Not Available
- External Links
- PubChem Compound
- 44469321
- PubChem Substance
- 347828571
- ChemSpider
- 24662493
- BindingDB
- 50318666
- ChEMBL
- CHEMBL1082723
- ZINC
- ZINC000049037032
- Wikipedia
- Cipargamin
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Cure Rate 1 2 Completed Treatment Malaria 3 2 Recruiting Treatment Severe Malaria 1 2 Recruiting Treatment Uncomplicated Malaria caused by Plasmodium falciparum 1 1 Completed Other Malaria 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 0.00483 mg/mL ALOGPS logP 4.03 ALOGPS logP 4.17 Chemaxon logS -4.9 ALOGPS pKa (Strongest Acidic) 12.26 Chemaxon pKa (Strongest Basic) 6.58 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 56.92 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 100.65 m3·mol-1 Chemaxon Polarizability 37.98 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 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 splash10-0006-0009000000-844707c258bcbfb6dd77 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-000i-0009000000-f60988d705d45477fb7a Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-0009000000-f20575253e9d649e924b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-000m-5009000000-509378524177a01dc2bf Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0udj-2519000000-954a00dfaed0b4b43a63 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-9101000000-c4f4d57271ff508a445b 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]- 192.51216 predictedDeepCCS 1.0 (2019) [M+H]+ 194.90773 predictedDeepCCS 1.0 (2019) [M+Na]+ 200.83131 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:53 / Updated at February 21, 2021 18:53