BG-P400-TAT
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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
- BG-P400-TAT
- DrugBank Accession Number
- DB17104
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 1284.462
Monoisotopic: 1283.95599 - Chemical Formula
- C39H48I4N6O11
- Synonyms
- [4-(4-{1-[2-(2-{2-[2-(2-{2-[2-(4-guanidinomethyl-phenoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethyl]-1H-[1,2,3]triazol-4-ylmethoxy}-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-acetic acid
- 2-[4-[4-[[1-[2-[2-[2-[2-[2-[2-[2-[4-[(Diaminomethylideneamino)methyl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-3,5-diiodophenoxy]-3,5-diiodophenyl]acetic acid
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 70JCV6CT08
- CAS number
- Not Available
- InChI Key
- DVWARFPIVDNTDK-UHFFFAOYSA-N
- InChI
- InChI=1S/C39H48I4N6O11/c40-32-19-28(21-36(50)51)20-33(41)38(32)60-31-22-34(42)37(35(43)23-31)59-26-29-25-49(48-47-29)5-6-52-7-8-53-9-10-54-11-12-55-13-14-56-15-16-57-17-18-58-30-3-1-27(2-4-30)24-46-39(44)45/h1-4,19-20,22-23,25H,5-18,21,24,26H2,(H,50,51)(H4,44,45,46)
- IUPAC Name
- 2-(4-{4-[(1-{20-[4-(carbamimidamidomethyl)phenoxy]-3,6,9,12,15,18-hexaoxaicosan-1-yl}-1H-1,2,3-triazol-4-yl)methoxy]-3,5-diiodophenoxy}-3,5-diiodophenyl)acetic acid
- SMILES
- NC(=N)NCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCN2C=C(COC3=C(I)C=C(OC4=C(I)C=C(CC(O)=O)C=C4I)C=C3I)N=N2)C=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 81367205
- BindingDB
- 50540953
- ChEMBL
- CHEMBL4638793
Clinical Trials
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 0.00165 mg/mL ALOGPS logP 4.15 ALOGPS logP 5.03 Chemaxon logS -5.9 ALOGPS pKa (Strongest Acidic) 1.94 Chemaxon pKa (Strongest Basic) 11.95 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 15 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 212.98 Å2 Chemaxon Rotatable Bond Count 31 Chemaxon Refractivity 280.87 m3·mol-1 Chemaxon Polarizability 108.75 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 14, 2022 21:36 / Updated at December 01, 2022 11:35