NAV

Branaplam

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Branaplam
DrugBank Accession Number
DB14918
Background

Branaplam is under investigation in clinical trial NCT02268552 (An Open Label Study of LMI070 (Branaplam) in Type 1 Spinal Muscular Atrophy (SMA)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 393.491
Monoisotopic: 393.216475129
Chemical Formula
C22H27N5O2
Synonyms
  • Branaplam
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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
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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
P12R69543A
CAS number
1562338-42-4
InChI Key
STWTUEAWRAIWJG-UHFFFAOYSA-N
InChI
InChI=1S/C22H27N5O2/c1-21(2)10-16(11-22(3,4)27-21)29-20-8-7-18(25-26-20)17-6-5-14(9-19(17)28)15-12-23-24-13-15/h5-9,12-13,16,27-28H,10-11H2,1-4H3,(H,23,24)
IUPAC Name
5-(1H-pyrazol-4-yl)-2-{6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxy]pyridazin-3-yl}phenol
SMILES
CC1(C)CC(CC(C)(C)N1)OC1=NN=C(C=C1)C1=C(O)C=C(C=C1)C1=CNN=C1

References

General References
Not Available
ChemSpider
34980709
ZINC
ZINC000146605125
PDBe Ligand
Y53
Wikipedia
Branaplam
PDB Entries
8r63

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentEarly Manifest Huntington Disease1
1, 2CompletedTreatmentSpinal Muscular Atrophy (SMA)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 Solubility0.0183 mg/mLALOGPS
logP3.49ALOGPS
logP1.8Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)8.12Chemaxon
pKa (Strongest Basic)10.19Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area95.95 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity114.38 m3·mol-1Chemaxon
Polarizability43.81 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/MSsplash10-0006-4900000000-27d5debf6aae902e8684
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000f-0609000000-83f09d8f4f50b04dfcca
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0zg0-2019000000-9e519cdb30a91681b0c9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ikl-0139000000-07ba141f76c789d9aaba
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aor-6298000000-2153c269cb7a71aefcd2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0w29-0495000000-aaffd51fa665c81989b8
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 14:35 / Updated at February 21, 2021 18:55