EC-17
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- EC-17
- DrugBank Accession Number
- DB12559
- Background
Folate Fitc has been used in trials studying the diagnostic of Ovarian Cancer.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 872.87
Monoisotopic: 872.233658573 - Chemical Formula
- C42H36N10O10S
- Synonyms
- EC17 (Folate-FITC)
- Folate-FITC
- Folate-fluorescein conjugate
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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Glutamine and derivatives
- Alternative Parents
- Xanthenes / Hippuric acids / N-acyl-alpha amino acids / Pterins and derivatives / Diarylethers / Benzofuranones / Phthalides / Aminobenzamides / Isobenzofurans / Benzoyl derivatives show 24 more
- Substituents
- 1-benzopyran / 1-hydroxy-2-unsubstituted benzenoid / Amine / Amino acid / Aminobenzamide / Aminobenzoic acid or derivatives / Aminopyrimidine / Aniline or substituted anilines / Aralkylamine / Aromatic heteropolycyclic compound show 53 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- V7YQ6134AE
- CAS number
- 583037-91-6
- InChI Key
- ZMTAPBHUSYTHBY-PMERELPUSA-N
- InChI
- InChI=1S/C42H36N10O10S/c43-33(55)12-11-30(38(58)59)52(37(57)20-1-3-21(4-2-20)46-18-23-19-47-35-34(48-23)36(56)51-40(44)50-35)14-13-45-41(63)49-22-5-8-27-26(15-22)39(60)62-42(27)28-9-6-24(53)16-31(28)61-32-17-25(54)7-10-29(32)42/h1-10,15-17,19,30,46,53-54H,11-14,18H2,(H2,43,55)(H,58,59)(H2,45,49,63)(H3,44,47,50,51,56)/t30-/m0/s1
- IUPAC Name
- (2S)-2-[1-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}phenyl)-N-{2-[({3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-5-yl}carbamothioyl)amino]ethyl}formamido]-4-carbamoylbutanoic acid
- SMILES
- NC(=O)CC[C@H](N(CCNC(=S)NC1=CC=C2C(=C1)C(=O)OC21C2=CC=C(O)C=C2OC2=C1C=CC(O)=C2)C(=O)C1=CC=C(NCC2=CN=C3N=C(N)NC(=O)C3=N2)C=C1)C(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 71587764
- PubChem Substance
- 347828783
- ChemSpider
- 32701282
- ZINC
- ZINC000206179007
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Diagnostic Ovarian Cancer 1 2 Terminated Treatment Renal Cell Carcinoma (RCC) 1 1 Completed Diagnostic Ovarian Cancer 1 1 Completed Diagnostic Resectable Breast Cancer 1 1 Completed Treatment 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 0.0345 mg/mL ALOGPS logP 2.95 ALOGPS logP 2.06 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 3.63 Chemaxon pKa (Strongest Basic) 2.12 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 13 Chemaxon Hydrogen Donor Count 9 Chemaxon Polar Surface Area 306.04 Å2 Chemaxon Rotatable Bond Count 13 Chemaxon Refractivity 233.84 m3·mol-1 Chemaxon Polarizability 88.11 Å3 Chemaxon Number of Rings 8 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 287.9175194 predictedDarkChem Lite v0.1.0 [M-H]- 275.12228 predictedDeepCCS 1.0 (2019) [M+H]+ 286.5200194 predictedDarkChem Lite v0.1.0 [M+H]+ 277.0177 predictedDeepCCS 1.0 (2019) [M+Na]+ 288.7986194 predictedDarkChem Lite v0.1.0 [M+Na]+ 283.0477 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:52 / Updated at June 12, 2020 16:53