Identification

Generic Name
Pyroquilon
DrugBank Accession Number
DB02756
Background

Pyroquilon is a commercial blasticide which binds in the naphthol pocket of fungal trihydroxynaphthalene reductase active site.

Type
Small Molecule
Groups
Experimental
Structure
Thumb
Weight
Average: 173.2111
Monoisotopic: 173.084063979
Chemical Formula
C11H11NO
Synonyms
  • 1,2,5,6-tetrahydropyrrolo[3,2,1-ij]quinolin-4-one
External IDs
  • CG-114
  • CGA 49104
  • CGA-49104

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Adverseeffects
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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.
DrugInteraction
AcenocoumarolThe therapeutic efficacy of Acenocoumarol can be increased when used in combination with Pyroquilon.
DicoumarolThe therapeutic efficacy of Dicoumarol can be increased when used in combination with Pyroquilon.
FluindioneThe therapeutic efficacy of Fluindione can be increased when used in combination with Pyroquilon.
PhenindioneThe therapeutic efficacy of Phenindione can be increased when used in combination with Pyroquilon.
PhenprocoumonThe therapeutic efficacy of Phenprocoumon can be increased when used in combination with Pyroquilon.
WarfarinThe therapeutic efficacy of Warfarin can be increased when used in combination with Pyroquilon.
Interactions
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Food Interactions
Not Available

Products

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International/Other Brands
Coratop / Fongoren / Fongorene / Lilolidone

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Quinolones and derivatives
Direct Parent
Hydroquinolones
Alternative Parents
Hydroquinolines / Indoles and derivatives / Benzenoids / Tertiary carboxylic acid amides / Lactams / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
show 1 more
Substituents
Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid derivative / Hydrocarbon derivative / Indole or derivatives / Lactam / Organic nitrogen compound
show 8 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
pyrroloquinoline, delta-lactam (CHEBI:45141) / Pesticides (C18487)
Affected organisms
Not Available

Chemical Identifiers

UNII
WS195Z0WJH
CAS number
57369-32-1
InChI Key
XRJLAOUDSILTFT-UHFFFAOYSA-N
InChI
InChI=1S/C11H11NO/c13-10-5-4-8-2-1-3-9-6-7-12(10)11(8)9/h1-3H,4-7H2
IUPAC Name
1-azatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),5,7-trien-11-one
SMILES
O=C1CCC2=CC=CC3=C2N1CC3

References

General References
Not Available
Human Metabolome Database
HMDB0037113
KEGG Compound
C18487
PubChem Compound
91665
PubChem Substance
46507815
ChemSpider
82768
ChEBI
45141
ChEMBL
CHEMBL144366
ZINC
ZINC000000173360
PDBe Ligand
PYQ
PDB Entries
1g0o / 1ja9

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility11.3 mg/mLALOGPS
logP1.1ALOGPS
logP1.42ChemAxon
logS-1.2ALOGPS
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area20.31 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity50.61 m3·mol-1ChemAxon
Polarizability18.79 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.9927
Blood Brain Barrier+0.9984
Caco-2 permeable+0.7645
P-glycoprotein substrateNon-substrate0.5988
P-glycoprotein inhibitor INon-inhibitor0.5459
P-glycoprotein inhibitor IINon-inhibitor0.9063
Renal organic cation transporterInhibitor0.6983
CYP450 2C9 substrateNon-substrate0.8337
CYP450 2D6 substrateNon-substrate0.6016
CYP450 3A4 substrateSubstrate0.697
CYP450 1A2 substrateInhibitor0.8002
CYP450 2C9 inhibitorNon-inhibitor0.636
CYP450 2D6 inhibitorNon-inhibitor0.833
CYP450 2C19 inhibitorInhibitor0.6512
CYP450 3A4 inhibitorNon-inhibitor0.7013
CYP450 inhibitory promiscuityHigh CYP Inhibitory Promiscuity0.6674
Ames testNon AMES toxic0.6586
CarcinogenicityNon-carcinogens0.9575
BiodegradationNot ready biodegradable0.9902
Rat acute toxicity2.7008 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9069
hERG inhibition (predictor II)Non-inhibitor0.7854
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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 June 13, 2005 13:24 / Updated at June 12, 2020 16:52