SGI-1776
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- SGI-1776
- DrugBank Accession Number
- DB12494
- Background
SGI-1776 has been used in trials studying the treatment of Prostate Cancer, Non-Hodgkins Lymphoma, and Relapsed/Refractory Leukemias.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 405.425
Monoisotopic: 405.177644837 - Chemical Formula
- C20H22F3N5O
- Synonyms
- Not Available
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Azoles
- Sub Class
- Imidazoles
- Direct Parent
- Phenylimidazoles
- Alternative Parents
- Phenoxy compounds / Phenol ethers / Secondary alkylarylamines / Aminopyridazines / Piperidines / N-substituted imidazoles / Imidolactams / Heteroaromatic compounds / Trihalomethanes / Trialkylamines show 6 more
- Substituents
- 4-phenylimidazole / 5-phenylimidazole / Alkyl fluoride / Alkyl halide / Amine / Aminopyridazine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Halomethane show 21 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 72AUA0603W
- CAS number
- 1025065-69-3
- InChI Key
- MHXGEROHKGDZGO-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)
- IUPAC Name
- N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
- SMILES
- CN1CCC(CNC2=NN3C(C=C2)=NC=C3C2=CC=CC(OC(F)(F)F)=C2)CC1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 24795070
- PubChem Substance
- 347828729
- ChemSpider
- 28497930
- BindingDB
- 50364776
- ChEBI
- 95061
- ChEMBL
- CHEMBL1952329
- ZINC
- ZINC000068205235
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Terminated Other Non-Hodgkin's Lymphoma (NHL) / Prostate Cancer 1 1 Withdrawn Treatment Relapsed/Refractory Leukemias 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 0.0141 mg/mL ALOGPS logP 4.53 ALOGPS logP 4.21 Chemaxon logS -4.5 ALOGPS pKa (Strongest Basic) 9.29 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 54.69 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 112.63 m3·mol-1 Chemaxon Polarizability 39.98 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 Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0000900000-e022cc8f1e662a93a0e3 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0002900000-197a0f8c0e02739fe691 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0023900000-303153561284a662e45f Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-0300900000-fffc7c74a689f9fa4f14 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-7319100000-f9f045b2860cfe1ea81e Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004l-1962100000-551c8478831177eac925 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 191.63945 predictedDeepCCS 1.0 (2019) [M+H]+ 194.0798 predictedDeepCCS 1.0 (2019) [M+Na]+ 201.34474 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:36 / Updated at June 12, 2020 16:53