This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Fluorescein lisicol
- DrugBank Accession Number
- DB12030
- Background
Fluorescein lisicol has been used in trials studying the diagnostic of Pharmacokinetics, Hepatic Cirrhosis, Hepatitis, Viral, Human, Nonalcoholic Steatohepatitis, and Non-Alcoholic Fatty Liver Disease.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Fluorescein lisicol (DB12030)
- Weight
- Average: 928.15
Monoisotopic: 927.433981099 - Chemical Formula
- C51H65N3O11S
- Synonyms
- Fluorescein lisicol
- External IDs
- NRL-972
- NRL972
Pharmacology
- Indication
Not Available
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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 glycinated bile acids and derivatives. These are compounds with a structure characterized by the presence of a glycine linked to a bile acid skeleton.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Steroids and steroid derivatives
- Sub Class
- Bile acids, alcohols and derivatives
- Direct Parent
- Glycinated bile acids and derivatives
- Alternative Parents
- Trihydroxy bile acids, alcohols and derivatives / 7-hydroxysteroids / 12-hydroxysteroids / 3-alpha-hydroxysteroids / Xanthenes / N-acyl-L-alpha-amino acids / Diarylethers / N-phenylthioureas / Benzoic acids / Benzoyl derivatives show 17 more
- Substituents
- 1-benzopyran / 1-hydroxy-2-unsubstituted benzenoid / 12-hydroxysteroid / 3-alpha-hydroxysteroid / 3-hydroxysteroid / 7-hydroxysteroid / Alcohol / Alpha-amino acid or derivatives / Aromatic heteropolycyclic compound / Benzenoid show 43 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- U7GBB0934J
- CAS number
- 140616-46-2
- InChI Key
- PVZRIVQDZVBHOW-TZCNZRNCSA-N
- InChI
- InChI=1S/C51H65N3O11S/c1-26(36-14-15-37-46-38(25-43(59)51(36,37)3)50(2)18-17-31(57)20-27(50)21-40(46)58)7-16-44(60)54-39(48(63)64)6-4-5-19-52-49(66)53-28-8-11-32(35(22-28)47(61)62)45-33-12-9-29(55)23-41(33)65-42-24-30(56)10-13-34(42)45/h8-13,22-24,26-27,31,36-40,43,45-46,55-59H,4-7,14-21,25H2,1-3H3,(H,54,60)(H,61,62)(H,63,64)(H2,52,53,66)/t26-,27+,31-,36-,37+,38+,39+,40-,43+,46+,50+,51-/m1/s1
- IUPAC Name
- 5-({[(5S)-5-carboxy-5-[(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,16-trihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanamido]pentyl]carbamothioyl}amino)-2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid
- SMILES
- C[C@H](CCC(=O)N[C@@H](CCCCNC(=S)NC1=CC=C(C2C3=CC=C(O)C=C3OC3=C2C=CC(O)=C3)C(=C1)C(O)=O)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
References
- General References
- Not Available
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Diagnostic Cirrhosis of the Liver 1 2 Completed Diagnostic Fatty Liver, Non-alcoholic Fatty Liver Disease, NAFLD / Non Alcoholic Steatohepatitis (NASH) 1 2 Completed Diagnostic Hepatitis, Viral, Human 1 1 Completed Diagnostic Cirrhosis of the Liver 3 1 Completed Diagnostic Pharmacokinetics 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 0.000627 mg/mL ALOGPS logP 4.84 ALOGPS logP 6.52 Chemaxon logS -6.2 ALOGPS pKa (Strongest Acidic) 3.52 Chemaxon pKa (Strongest Basic) -0.4 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 10 Chemaxon Hydrogen Donor Count 10 Chemaxon Polar Surface Area 238.14 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 253.75 m3·mol-1 Chemaxon Polarizability 102.23 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]- 286.15045 predictedDeepCCS 1.0 (2019) [M+H]+ 287.81454 predictedDeepCCS 1.0 (2019) [M+Na]+ 293.97144 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:13 / Updated at February 21, 2021 18:53