Temsavir
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Temsavir
- DrugBank Accession Number
- DB14675
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 473.493
Monoisotopic: 473.181152249 - Chemical Formula
- C24H23N7O4
- Synonyms
- Temsavir
- External IDs
- BMS 626529
- BMS-626529
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 4B6J53W8N3
- CAS number
- 701213-36-7
- InChI Key
- QRPZBKAMSFHVRW-UHFFFAOYSA-N
- InChI
- InChI=1S/C24H23N7O4/c1-15-27-14-31(28-15)22-20-19(18(35-2)13-26-22)17(12-25-20)21(32)24(34)30-10-8-29(9-11-30)23(33)16-6-4-3-5-7-16/h3-7,12-14,25H,8-11H2,1-2H3
- IUPAC Name
- 1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
- SMILES
- COC1=CN=C(N2C=NC(C)=N2)C2=C1C(=CN2)C(=O)C(=O)N1CCN(CC1)C(=O)C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 9492405
- BindingDB
- 50236759
- 2675620
- ChEMBL
- CHEMBL3301620
- ZINC
- ZINC000034815611
- PDBe Ligand
- 83J
- PDB Entries
- 5u7o / 8czz / 8ttw
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment Human Immunodeficiency Virus (HIV) Infections 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 0.147 mg/mL ALOGPS logP 1.43 ALOGPS logP 1.01 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 9.07 Chemaxon pKa (Strongest Basic) 1.25 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 126.31 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 128.73 m3·mol-1 Chemaxon Polarizability 48.67 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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]- 244.3455837 predictedDarkChem Lite v0.1.0 [M-H]- 244.3455837 predictedDarkChem Lite v0.1.0 [M-H]- 204.9366 predictedDeepCCS 1.0 (2019) [M+H]+ 244.5408837 predictedDarkChem Lite v0.1.0 [M+H]+ 244.5408837 predictedDarkChem Lite v0.1.0 [M+H]+ 207.33215 predictedDeepCCS 1.0 (2019) [M+Na]+ 244.4261837 predictedDarkChem Lite v0.1.0 [M+Na]+ 244.4261837 predictedDarkChem Lite v0.1.0 [M+Na]+ 213.24469 predictedDeepCCS 1.0 (2019)
Drug created at September 04, 2018 22:31 / Updated at February 21, 2021 18:54