NAV

Fulacimstat

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

Identification

Generic Name
Fulacimstat
DrugBank Accession Number
DB15085
Background

Fulacimstat is under investigation in clinical trial NCT02452515 (A Single-blind Pilot Study to Investigate Safety and Tolerability of the Chymase Inhibitor BAY1142524 in Clinically Stable Patients With Left-ventricular Dysfunction).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 487.391
Monoisotopic: 487.099119736
Chemical Formula
C23H16F3N3O6
Synonyms
  • BAY1142524
  • Fulacimstat
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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
VIR72PP4ZU
CAS number
1488354-15-9
InChI Key
JDARDSVOVYVQST-MRXNPFEDSA-N
InChI
InChI=1S/C23H16F3N3O6/c1-27-17-7-5-11(9-18(17)35-22(27)34)28-10-14(20(31)32)19(30)29(21(28)33)16-8-6-12-13(16)3-2-4-15(12)23(24,25)26/h2-5,7,9-10,16H,6,8H2,1H3,(H,31,32)/t16-/m1/s1
IUPAC Name
1-(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2,4-dioxo-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
SMILES
CN1C(=O)OC2=CC(=CC=C12)N1C=C(C(O)=O)C(=O)N([C@@H]2CCC3=C(C=CC=C23)C(F)(F)F)C1=O

References

General References
Not Available
ChemSpider
64835239
BindingDB
256011

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedOtherHeart Failure1
2CompletedTreatmentDiabetic Kidney Disease (DKD)1
2CompletedTreatmentMyocardial Infarction1
1CompletedOtherClinical Trial, Phase I1

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 Solubility0.0128 mg/mLALOGPS
logP2.71ALOGPS
logP3.21Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)2.85Chemaxon
pKa (Strongest Basic)-2.2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area107.46 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity113.1 m3·mol-1Chemaxon
Polarizability44.11 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-00dr-0000900000-321e66c0e95e3a3c987f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-0000900000-58f6f03d566759e82f92
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0000900000-2b478624524728766e41
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0btl-0040900000-954775143147562d850f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-000f-0321900000-91bb29584749e0961565
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dl-1222900000-e916ea0f750df2685267
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 14:48 / Updated at February 21, 2021 18:55