This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- CP-547632
- DrugBank Accession Number
- DB12962
- Background
CP-547632 has been used in trials studying the treatment of Ovarian Cancer, Lung Neoplasms, Ovarian Neoplasms, Peritoneal Neoplasms, and Fallopian Tube Cancer, among others.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for CP-547632 (DB12962)
- Weight
- Average: 532.402
Monoisotopic: 531.075129406 - Chemical Formula
- C20H24BrF2N5O3S
- Synonyms
- Not Available
- External IDs
- CP-547,632
- CP-547632
- OSI-632
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
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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 thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide group.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Azoles
- Sub Class
- Thiazoles
- Direct Parent
- Thiazolecarboxamides
- Alternative Parents
- Alkyl aryl ethers / Fluorobenzenes / Bromobenzenes / Aryl bromides / N-alkylpyrrolidines / Aryl fluorides / Vinylogous amides / Heteroaromatic compounds / Ureas / Trialkylamines show 8 more
- Substituents
- Alkyl aryl ether / Amine / Amino acid or derivatives / Aromatic heteromonocyclic compound / Aryl bromide / Aryl fluoride / Aryl halide / Azacycle / Benzenoid / Bromobenzene show 25 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- W1B375O5M2
- CAS number
- 252003-65-9
- InChI Key
- HXHAJRMTJXHJJZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)
- IUPAC Name
- 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-({[4-(pyrrolidin-1-yl)butyl]carbamoyl}amino)-1,2-thiazole-4-carboxamide
- SMILES
- NC(=O)C1=C(NC(=O)NCCCCN2CCCC2)SN=C1OCC1=C(F)C=C(Br)C=C1F
References
- General References
- Not Available
- External Links
- PubChem Compound
- 9811611
- PubChem Substance
- 347829102
- ChemSpider
- 7987366
- BindingDB
- 25115
- ChEMBL
- CHEMBL253969
- ZINC
- ZINC000003834191
- PDBe Ligand
- BFF
- PDB Entries
- 3l8s
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Abdominal wall neoplasm / Fallopian Tube Neoplasms / Ovarian Neoplasms 1 2 Completed Treatment Fallopian Tube Cancer / Ovarian Cancer / Primary Peritoneal Cancer 1 1, 2 Completed Treatment Lung Neoplasm 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 0.00466 mg/mL ALOGPS logP 3.04 ALOGPS logP 2.5 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 7.83 Chemaxon pKa (Strongest Basic) 9.83 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 109.58 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 123.19 m3·mol-1 Chemaxon Polarizability 49.24 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 197.45316 predictedDeepCCS 1.0 (2019) [M+H]+ 199.81117 predictedDeepCCS 1.0 (2019) [M+Na]+ 207.0129 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 01:36 / Updated at June 12, 2020 16:53