LNS-8801
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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
- LNS-8801
- DrugBank Accession Number
- DB18091
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 412.283
Monoisotopic: 411.047006 - Chemical Formula
- C21H18BrNO3
- Synonyms
- Ethanone, 1-((3ar,4s,9bs)-4-(6-bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3h-cyclopenta(c)quinolin-8-yl)-, rel-
- G 1 (anti-tumor agent)
- G 1 (g protein-coupled estrogen receptor agonist)
- G 1 (gper agonist)
- External IDs
- LNS 8801
- LNS-8801
- LNS8801
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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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
- Y3V5BV7OKM
- CAS number
- 881639-98-1
- InChI Key
- VHSVKVWHYFBIFJ-HKZYLEAXSA-N
- InChI
- InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14-,21-/m0/s1
- IUPAC Name
- 1-[(3aS,4R,9bR)-4-(6-bromo-2H-1,3-benzodioxol-5-yl)-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-8-yl]ethan-1-one
- SMILES
- [H][C@]12CC=C[C@@]1([H])C1=CC(=CC=C1N[C@H]2C1=CC2=C(OCO2)C=C1Br)C(C)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 4479958
- BindingDB
- 50303803
- ChEBI
- 156296
- ChEMBL
- CHEMBL569766
- ZINC
- ZINC000004172149
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1, 2 Recruiting Treatment Adult Solid Tumor 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 logP 3.94 Chemaxon pKa (Strongest Acidic) 16.51 Chemaxon pKa (Strongest Basic) 4.19 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 47.56 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 105.17 m3·mol-1 Chemaxon Polarizability 39.27 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 11, 2023 18:32 / Updated at September 12, 2023 18:34