NAV

LGH-447

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
3D
Similar Structures
Weight
Average: 440.47
Monoisotopic: 440.182395866
Chemical Formula
C24H23F3N4O
Synonyms
Not Available
External IDs
  • LGH447
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Pharmacology

Indication

Not Available

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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
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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
ChemSpider
34957627
BindingDB
106870
ChEMBL
CHEMBL3651966
ZINC
ZINC000116907270
PDBe Ligand
5H7
PDB Entries
5dwr

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAML and High Risk MDS1
1CompletedTreatmentMultiple Myeloma (MM)2
1CompletedTreatmentRelapsed/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
PropertyValueSource
Water Solubility0.0016 mg/mLALOGPS
logP4.22ALOGPS
logP4.39Chemaxon
logS-5.4ALOGPS
pKa (Strongest Acidic)14.03Chemaxon
pKa (Strongest Basic)10.28Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area80.9 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity116.39 m3·mol-1Chemaxon
Polarizability44.58 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0000900000-986a918dad6a27c96217
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014s-2004900000-0ff07bca6d24bac71640
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-006x-0001900000-f39060aa23f0800cf6b6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kr-6230900000-ebd2a7fd0a7f1032ff38
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-029f-8295600000-bd858a7fb1d614da1d97
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ikm-2357900000-bbd1512f9c944b9c4e80
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:37 / Updated at June 12, 2020 16:53