ORM-12741

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

Identification

Generic Name
ORM-12741
DrugBank Accession Number
DB12057
Background

ORM-12741 has been used in trials studying the basic science and treatment of Alzheimer's Disease.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 285.387
Monoisotopic: 285.172878985
Chemical Formula
C18H23NO2
Synonyms
Not Available
External IDs
  • ORM-10921

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.
DrugInteraction
AlfuzosinORM-12741 may increase the hypotensive activities of Alfuzosin.
AmphetamineThe therapeutic efficacy of ORM-12741 can be decreased when used in combination with Amphetamine.
ArbutamineThe therapeutic efficacy of Arbutamine can be decreased when used in combination with ORM-12741.
ArformoterolThe therapeutic efficacy of Arformoterol can be decreased when used in combination with ORM-12741.
AvanafilORM-12741 may increase the hypotensive activities of Avanafil.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzofurans
Sub Class
Not Available
Direct Parent
Benzofurans
Alternative Parents
Aralkylamines / Piperidines / Benzenoids / Heteroaromatic compounds / Furans / Trialkylamines / Oxacyclic compounds / Dialkyl ethers / Azacyclic compounds / Hydrocarbon derivatives
Substituents
Amine / Aralkylamine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Benzofuran / Dialkyl ether / Ether / Furan / Heteroaromatic compound
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
C5D3YG7ZR8
CAS number
610782-82-6
InChI Key
OCUKPFWNSAAHRP-QZTJIDSGSA-N
InChI
InChI=1S/C18H23NO2/c1-18(12-20-2)9-5-10-19-11-8-14-13-6-3-4-7-15(13)21-16(14)17(18)19/h3-4,6-7,17H,5,8-12H2,1-2H3/t17-,18-/m1/s1
IUPAC Name
(2S,3S)-3-(methoxymethyl)-3-methyl-17-oxa-7-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),11,13,15-tetraene
SMILES
COC[C@@]1(C)CCCN2CCC3=C(OC4=CC=CC=C34)[C@H]12

References

General References
Not Available
PubChem Compound
71301276
PubChem Substance
347828366
ChemSpider
52085413

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAlzheimer's Disease (AD)2
1CompletedNot AvailableHealthy Volunteers (HV)1
1CompletedBasic ScienceHealthy Volunteers (HV)2
1CompletedTreatmentHealthy Male Volunteers1
1CompletedTreatmentHealthy Volunteers (HV)5

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 Solubility0.0307 mg/mLALOGPS
logP3.66ALOGPS
logP3.05Chemaxon
logS-4ALOGPS
pKa (Strongest Basic)7.41Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area25.61 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity83.84 m3·mol-1Chemaxon
Polarizability33.3 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
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/MSsplash10-000i-0090000000-f1597d0909078671b9ba
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0090000000-752850df877274a8cf3e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000x-0090000000-14ddb55f2940158788e5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f7c-0090000000-4f91fd305e11999a4849
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dr-0390000000-a000dc64be886f06c76d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0007-1970000000-4ffdfc9be61b2dfdfd19
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-173.35
predicted
DeepCCS 1.0 (2019)
[M+H]+175.70802
predicted
DeepCCS 1.0 (2019)
[M+Na]+183.14912
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:16 / Updated at June 12, 2020 16:53