NAV

Runcaciguat

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

Identification

Generic Name
Runcaciguat
DrugBank Accession Number
DB16700
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 488.33
Monoisotopic: 487.0928835
Chemical Formula
C23H22Cl2F3NO3
Synonyms
  • Cyclopropylpropanoic acid
  • Runcaciguat
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
5EZ01YDT5S
CAS number
1402936-61-1
InChI Key
NCRMKIWHFXSBGZ-CNBXIYLPSA-N
InChI
InChI=1S/C23H22Cl2F3NO3/c1-12(23(26,27)28)21(14-4-7-16(24)8-5-14)22(32)29-19-10-15(6-9-18(19)25)17(11-20(30)31)13-2-3-13/h4-10,12-13,17,21H,2-3,11H2,1H3,(H,29,32)(H,30,31)/t12-,17+,21+/m1/s1
IUPAC Name
(3S)-3-{4-chloro-3-[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanamido]phenyl}-3-cyclopropylpropanoic acid
SMILES
C[C@H]([C@H](C(=O)NC1=C(Cl)C=CC(=C1)[C@@H](CC(O)=O)C1CC1)C1=CC=C(Cl)C=C1)C(F)(F)F

References

General References
Not Available
ChemSpider
75533796
PDBe Ligand
XZ7
PDB Entries
7lgk

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentDiabetic Retinopathy (DR)1
2CompletedTreatmentChronic Kidney Disease (CKD)1
1TerminatedTreatmentChronic Kidney Disease (CKD)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 Solubility0.000432 mg/mLALOGPS
logP5.54ALOGPS
logP6.44Chemaxon
logS-6ALOGPS
pKa (Strongest Acidic)4.01Chemaxon
pKa (Strongest Basic)-4.9Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area66.4 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity117.64 m3·mol-1Chemaxon
Polarizability45.88 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-007c-1000900000-82b61b4a2601a196e905
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-6000900000-5c64e3ec5c495d155cdb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00du-0002900000-acc5a69fe328dbe1901c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-05al-9243800000-624be46f8bf0ae0b769b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-1891500000-19994474199aa2fa4fe9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9100000000-dc6d595d3a01921a2350
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at June 11, 2021 19:44 / Updated at June 12, 2021 10:55