BI 44370 TA
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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
- BI 44370 TA
- DrugBank Accession Number
- DB16037
- Background
BI 44370 TA is under investigation in clinical trial NCT00751803 (BI 44370 TA in Acute Migraine Attack).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 633.79
Monoisotopic: 633.352634253 - Chemical Formula
- C35H47N5O6
- Synonyms
- Not Available
- External IDs
- BI 44370 TA
- BI-44370
- BI-44370-BS
- J3.353.239C
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
- 7L3WOA232W
- CAS number
- 866086-05-7
- InChI Key
- HTLWMOKBJQKDIJ-WJOKGBTCSA-N
- InChI
- InChI=1S/C35H47N5O6/c1-24-21-26(22-25(2)32(24)41)23-31(33(42)38-12-8-28(9-13-38)37-17-19-45-20-18-37)46-35(44)39-14-10-29(11-15-39)40-16-7-27-5-3-4-6-30(27)36-34(40)43/h3-6,21-22,28-29,31,41H,7-20,23H2,1-2H3,(H,36,43)/t31-/m1/s1
- IUPAC Name
- (2R)-3-(4-hydroxy-3,5-dimethylphenyl)-1-[4-(morpholin-4-yl)piperidin-1-yl]-1-oxopropan-2-yl 4-(2-oxo-2,3,4,5-tetrahydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
- SMILES
- CC1=CC(C[C@@H](OC(=O)N2CCC(CC2)N2CCC3=C(NC2=O)C=CC=C3)C(=O)N2CCC(CC2)N2CCOCC2)=CC(C)=C1O
References
- General References
- Not Available
- External Links
- ChemSpider
- 52085596
- ChEMBL
- CHEMBL3334624
- ZINC
- ZINC000117997024
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 0.0948 mg/mL ALOGPS logP 3.08 ALOGPS logP 3.11 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 10.22 Chemaxon pKa (Strongest Basic) 7.42 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 114.89 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 177.45 m3·mol-1 Chemaxon Polarizability 70.13 Å3 Chemaxon Number of Rings 6 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)
Not Available
Drug created at December 15, 2020 18:03 / Updated at December 20, 2020 03:35