NAV

OT-730

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

Identification

Generic Name
OT-730
DrugBank Accession Number
DB16112
Background

OT-730 is under investigation in clinical trial NCT00753168 (Phase 1-2 Evaluation of OT-730 Eye Drops in Reducing the Intraocular Pressure in Patients With Ocular Hypertension or Open-angle Glaucoma).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 492.569
Monoisotopic: 492.247166127
Chemical Formula
C25H36N2O8
Synonyms
Not Available
External IDs
  • OT 730
  • OT-730
  • QLT-091568
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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
5WVS67PLAL
CAS number
870809-51-1
InChI Key
ANXXSWNMHQHOQC-DJNXLDHESA-N
InChI
InChI=1S/C25H36N2O8/c1-15-9-19(28)20(29)10-18(15)22(31)34-13-17(35-23(32)25(4)6-7-25)11-27-24(2,3)14-26-21(30)16-5-8-33-12-16/h9-10,16-17,27-29H,5-8,11-14H2,1-4H3,(H,26,30)/t16?,17-/m0/s1
IUPAC Name
(2S)-3-({2-methyl-1-[(oxolan-3-yl)formamido]propan-2-yl}amino)-2-(1-methylcyclopropanecarbonyloxy)propyl 4,5-dihydroxy-2-methylbenzoate
SMILES
CC1=CC(O)=C(O)C=C1C(=O)OC[C@H](CNC(C)(C)CNC(=O)C1CCOC1)OC(=O)C1(C)CC1

References

General References
Not Available
ChemSpider
9729757

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentOcular Hypertension / Open Angle Glaucoma (OAG)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 Solubility0.0607 mg/mLALOGPS
logP1.47ALOGPS
logP1.91Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)9.02Chemaxon
pKa (Strongest Basic)8.41Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area143.42 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity127.27 m3·mol-1Chemaxon
Polarizability51.76 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0006-0001900000-e27548733e354f204785
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-5369800000-81d99ef1d3f5a101f645
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0096-2259800000-b21cd8fdd0a0f6a6d61b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0595-9248600000-a648f52169f4f917f22f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6w-3590100000-9b5977f66b606068d645
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dl-6901800000-998264c1b524003aa471
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:05 / Updated at December 20, 2020 03:37