LAS-191954
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- LAS-191954
- DrugBank Accession Number
- DB17816
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 397.402
Monoisotopic: 397.139956139 - Chemical Formula
- C20H15N9O
- Synonyms
- 2-((1s)-1-((6-amino-5-cyano-4-pyrimidinyl)amino)ethyl)-3,4-dihydro-4-oxo-3-phenylpyrrolo(2,1-f)(1,2,4)triazine-5-carbonitrile
- Pyrrolo(2,1-f)(1,2,4)triazine-5-carbonitrile, 2-((1s)-1-((6-amino-5-cyano-4-pyrimidinyl)amino)ethyl)-3,4-dihydro-4-oxo-3-phenyl-
- External IDs
- LAS-191954
- LAS191954
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
- 1MK0TQ597B
- CAS number
- 1403947-26-1
- InChI Key
- QUMWKKVIZAIAHU-LBPRGKRZSA-N
- InChI
- InChI=1S/C20H15N9O/c1-12(26-18-15(10-22)17(23)24-11-25-18)19-27-28-8-7-13(9-21)16(28)20(30)29(19)14-5-3-2-4-6-14/h2-8,11-12H,1H3,(H3,23,24,25,26)/t12-/m0/s1
- IUPAC Name
- 4-amino-6-{[(1S)-1-{5-cyano-4-oxo-3-phenyl-3H,4H-pyrrolo[2,1-f][1,2,4]triazin-2-yl}ethyl]amino}pyrimidine-5-carbonitrile
- SMILES
- C[C@H](NC1=NC=NC(N)=C1C#N)C1=NN2C=CC(C#N)=C2C(=O)N1C1=CC=CC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 58828603
- BindingDB
- 50208165
- ChEMBL
- CHEMBL3910904
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 logP 1.34 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 149.01 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 113.5 m3·mol-1 Chemaxon Polarizability 39.3 Å3 Chemaxon Number of Rings 4 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
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 17, 2023 16:22 / Updated at May 19, 2023 23:20