LGH-447
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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
- LGH-447
- DrugBank Accession Number
- DB14943
- Background
LGH-447 is under investigation in clinical trial NCT02160951 (Dose Escalation Study of LGH447 in Japanese Patients With Relapsed and/or Refractory Hematologic Malignancies).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 440.47
Monoisotopic: 440.182395866 - Chemical Formula
- C24H23F3N4O
- Synonyms
- Not Available
- External IDs
- LGH447
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
- 9TG5O4V25H
- CAS number
- 1210608-43-7
- InChI Key
- VRQXRVAKPDCRCI-ZNMIVQPWSA-N
- InChI
- InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1
- IUPAC Name
- N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
- SMILES
- C[C@@H]1C[C@H](N)C[C@@H](C1)C1=C(NC(=O)C2=NC(=C(F)C=C2)C2=C(F)C=CC=C2F)C=NC=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 34957627
- BindingDB
- 106870
- ChEMBL
- CHEMBL3651966
- ZINC
- ZINC000116907270
- PDBe Ligand
- 5H7
- PDB Entries
- 5dwr
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Completed Treatment AML and High Risk MDS 1 1 Completed Treatment Multiple Myeloma (MM) 2 1 Completed Treatment Relapsed/Refractory Multiple Myeloma (RRMM) 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 0.0016 mg/mL ALOGPS logP 4.22 ALOGPS logP 4.39 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 14.03 Chemaxon pKa (Strongest Basic) 10.28 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 80.9 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 116.39 m3·mol-1 Chemaxon Polarizability 44.58 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0000900000-986a918dad6a27c96217 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014s-2004900000-0ff07bca6d24bac71640 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-006x-0001900000-f39060aa23f0800cf6b6 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00kr-6230900000-ebd2a7fd0a7f1032ff38 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-029f-8295600000-bd858a7fb1d614da1d97 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0ikm-2357900000-bbd1512f9c944b9c4e80 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 20, 2019 14:37 / Updated at June 12, 2020 16:53