This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- PCI-27483
- DrugBank Accession Number
- DB13000
- Background
PCI-27483 has been used in trials studying the treatment of Pancreatic Cancer, Ductal Adrenocarcinoma, and Exocrine Pancreatic Cancer.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for PCI-27483 (DB13000)
- Weight
- Average: 596.57
Monoisotopic: 596.132547551 - Chemical Formula
- C26H24N6O9S
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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 phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Benzimidazoles
- Sub Class
- Phenylbenzimidazoles
- Direct Parent
- Phenylbenzimidazoles
- Alternative Parents
- Aspartic acid and derivatives / N-acyl-L-alpha-amino acids / Biphenyls and derivatives / Phenylimidazoles / Phenylacetamides / Benzenesulfonamides / Benzenesulfonyl compounds / 1-hydroxy-2-unsubstituted benzenoids / Organosulfonamides / Dicarboxylic acids and derivatives show 11 more
- Substituents
- 1-hydroxy-2-unsubstituted benzenoid / 2-phenylimidazole / Alpha-amino acid or derivatives / Amidine / Aminosulfonyl compound / Aromatic heteropolycyclic compound / Aspartic acid or derivatives / Azacycle / Azole / Benzenesulfonamide show 32 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 6073LCU8U9
- CAS number
- 871266-63-6
- InChI Key
- WDJHHCAKBRKCLW-IBGZPJMESA-N
- InChI
- InChI=1S/C26H24N6O9S/c27-24(28)12-1-3-17-18(8-12)32-25(31-17)16-6-11(7-21(34)30-19(26(38)39)10-22(35)36)5-15(23(16)37)14-9-13(42(29,40)41)2-4-20(14)33/h1-6,8-9,19,33,37H,7,10H2,(H3,27,28)(H,30,34)(H,31,32)(H,35,36)(H,38,39)(H2,29,40,41)/t19-/m0/s1
- IUPAC Name
- (2S)-2-{2-[5-(6-carbamimidoyl-1H-1,3-benzodiazol-2-yl)-2',6-dihydroxy-5'-sulfamoyl-[1,1'-biphenyl]-3-yl]acetamido}butanedioic acid
- SMILES
- NC(=N)C1=CC=C2N=C(NC2=C1)C1=CC(CC(=O)N[C@@H](CC(O)=O)C(O)=O)=CC(=C1O)C1=CC(=CC=C1O)S(N)(=O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 71587837
- PubChem Substance
- 347829137
- ChemSpider
- 32697927
- ZINC
- ZINC000043100782
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Ductal Adenocarcinoma / Exocrine Pancreatic Cancer / Pancreatic 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 0.0417 mg/mL ALOGPS logP 1.08 ALOGPS logP -1.6 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 2.96 Chemaxon pKa (Strongest Basic) 11.66 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 9 Chemaxon Polar Surface Area 282.87 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 167.64 m3·mol-1 Chemaxon Polarizability 58.12 Å3 Chemaxon Number of Rings 4 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 21, 2016 01:57 / Updated at June 12, 2020 16:53