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

Identification

Generic Name
Zamicastat
DrugBank Accession Number
DB12389
Background

Zamicastat has been used in trials studying the treatment of Hypertension and Chronic Heart Failure.

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 401.48
Monoisotopic: 401.137339808
Chemical Formula
C21H21F2N3OS
Synonyms
  • Zamicastat

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Zamicastat hydrochloridePXQ9G79I101383828-47-4OIXMDJZVHVPBNM-GMUIIQOCSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzopyrans
Sub Class
1-benzopyrans
Direct Parent
1-benzopyrans
Alternative Parents
Phenylmethylamines / Benzylamines / Aralkylamines / Alkyl aryl ethers / N-substituted imidazoles / Imidazolethiones / Aryl fluorides / Heteroaromatic compounds / Thioureas / Oxacyclic compounds
show 4 more
Substituents
1-benzopyran / Alkyl aryl ether / Amine / Aralkylamine / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Azole / Benzenoid
show 20 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
YLU32D0DNV
CAS number
1080028-80-3
InChI Key
ZSSLCFLHEFXANG-GOSISDBHSA-N
InChI
InChI=1S/C21H21F2N3OS/c22-16-8-15-9-18(13-27-20(15)19(23)10-16)26-17(12-25-21(26)28)6-7-24-11-14-4-2-1-3-5-14/h1-5,8,10,12,18,24H,6-7,9,11,13H2,(H,25,28)/t18-/m1/s1
IUPAC Name
5-[2-(benzylamino)ethyl]-1-[(3R)-6,8-difluoro-3,4-dihydro-2H-1-benzopyran-3-yl]-2,3-dihydro-1H-imidazole-2-thione
SMILES
FC1=CC(F)=C2OC[C@@H](CC2=C1)N1C(=S)NC=C1CCNCC1=CC=CC=C1

References

General References
Not Available
PubChem Compound
25052630
PubChem Substance
347828636
ChemSpider
32701723

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentPulmonary Arterial Hypertension (PAH)1
1CompletedTreatmentCardiovascular Disease (CVD) / Heart Failure / Pulmonary Arterial Hypertension (PAH)1
1CompletedTreatmentCardiovascular Disease+Pulmonary Disease / Pulmonary Arterial Hypertension (PAH)1
1CompletedTreatmentHypertension and Chronic Heart Failure1
1CompletedTreatmentPulmonary Arterial Hypertension (PAH)6
1TerminatedTreatmentPulmonary Arterial Hypertension (PAH)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 Solubility0.00542 mg/mLALOGPS
logP3.24ALOGPS
logP3.85ChemAxon
logS-4.9ALOGPS
pKa (Strongest Acidic)10.35ChemAxon
pKa (Strongest Basic)8.98ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area36.53 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity110.47 m3·mol-1ChemAxon
Polarizability40.27 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 20, 2016 22:11 / Updated at February 21, 2021 18:53