NAV

Olinciguat

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

Identification

Generic Name
Olinciguat
DrugBank Accession Number
DB15238
Background

Olinciguat is under investigation in clinical trial NCT03892499 (A Trial to Evaluate the Effect of Itraconazole (ITZ), a CYP3A4 Inhibitor, on the Pharmacokinetics of the Soluble Guanylate Cyclase Stimulator, Olinciguat (IW-1701), in Healthy Volunteers).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 509.397
Monoisotopic: 509.123478218
Chemical Formula
C21H16F5N7O3
Synonyms
  • Olinciguat
External IDs
  • IW-1701
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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
PD5F4ZXD21
CAS number
1628732-62-6
InChI Key
YWQFJNWMWZMXRW-HXUWFJFHSA-N
InChI
InChI=1S/C21H16F5N7O3/c22-12-4-2-1-3-11(12)9-33-16(14-5-6-36-32-14)7-15(31-33)18-28-8-13(23)17(30-18)29-10-20(35,19(27)34)21(24,25)26/h1-8,35H,9-10H2,(H2,27,34)(H,28,29,30)/t20-/m1/s1
IUPAC Name
(2R)-3-[(5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-yl)amino]-2-hydroxy-2-(trifluoromethyl)propanamide
SMILES
NC(=O)[C@](O)(CNC1=C(F)C=NC(=N1)C1=NN(CC2=C(F)C=CC=C2)C(=C1)C1=NOC=C1)C(F)(F)F

References

General References
Not Available
ChemSpider
64835205
BindingDB
321744

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentSickle Cell Disease (SCD)1
2TerminatedTreatmentAchalasia1
1CompletedOtherHealthy Volunteers (HV)2
1CompletedTreatmentHealthy Volunteers (HV)2

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 Solubility0.0774 mg/mLALOGPS
logP3.34ALOGPS
logP2.79Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)9.07Chemaxon
pKa (Strongest Basic)0.82Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area144.98 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity137.66 m3·mol-1Chemaxon
Polarizability43.5 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
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/MSsplash10-03di-0000290000-f8836cff9e21635e133e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-066s-0901230000-d3d86e6da2965a33db78
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dl-0000490000-40615ff9b49f0fcb5a96
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ap0-4309550000-d5c2e2cc733ca5a0d0de
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0r03-5718920000-2a3cc908bbfef3d26479
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-9611500000-5bc377c0c1cfe2de8581
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:03 / Updated at February 21, 2021 18:55