Identification

Generic Name
Pentasulfide-Sulfur
DrugBank Accession Number
DB02956
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 160.325
Monoisotopic: 159.86035345
Chemical Formula
S5
Synonyms
Not Available

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
Improve clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
Learn more
Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
USulfide dehydrogenaseNot AvailableWolinella succinogenes
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of inorganic compounds known as other non-metal sulfides. These are inorganic compounds containing a sulfur atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen belongs to the class of other non-metals.
Kingdom
Inorganic compounds
Super Class
Homogeneous non-metal compounds
Class
Other non-metal organides
Sub Class
Other non-metal sulfides
Direct Parent
Other non-metal sulfides
Alternative Parents
Inorganic sulfides
Substituents
Inorganic sulfide / Other non-metal sulfide
Molecular Framework
Not Available
External Descriptors
pentaatomic sulfur (CHEBI:45147)
Affected organisms
Not Available

Chemical Identifiers

UNII
Not Available
CAS number
Not Available
InChI Key
FBNHIFPJXGPDIP-UHFFFAOYSA-L
InChI
InChI=1S/H2S5/c1-3-5-4-2/h1-2H/p-2
IUPAC Name
pentasulfane-1,5-diide
SMILES
[S-]SSS[S-]

References

General References
Not Available
PubChem Compound
5289210
PubChem Substance
46508164
ChemSpider
4451217
ChEBI
45147
PDBe Ligand
PS5
PDB Entries
1qxn / 3k91 / 5yto / 7mjz

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
logP2.83Chemaxon
pKa (Strongest Acidic)8.82Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity36.14 m3·mol-1Chemaxon
Polarizability13.31 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption+0.8949
Blood Brain Barrier+0.9781
Caco-2 permeable+0.5793
P-glycoprotein substrateNon-substrate0.8857
P-glycoprotein inhibitor INon-inhibitor0.9765
P-glycoprotein inhibitor IINon-inhibitor0.9966
Renal organic cation transporterNon-inhibitor0.9326
CYP450 2C9 substrateNon-substrate0.8282
CYP450 2D6 substrateNon-substrate0.83
CYP450 3A4 substrateNon-substrate0.792
CYP450 1A2 substrateNon-inhibitor0.7542
CYP450 2C9 inhibitorNon-inhibitor0.7529
CYP450 2D6 inhibitorNon-inhibitor0.9029
CYP450 2C19 inhibitorNon-inhibitor0.8292
CYP450 3A4 inhibitorNon-inhibitor0.97
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.7773
Ames testNon AMES toxic0.844
CarcinogenicityCarcinogens 0.6428
BiodegradationReady biodegradable0.7299
Rat acute toxicity2.7186 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9176
hERG inhibition (predictor II)Non-inhibitor0.9616
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 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

Targets

Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock new
insights and accelerate drug research.
Learn more
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
Learn more
Kind
Protein
Organism
Wolinella succinogenes
Pharmacological action
Unknown
General Function
Not Available
Specific Function
Not Available
Gene Name
sud
Uniprot ID
Q56748
Uniprot Name
Sulfide dehydrogenase
Molecular Weight
16391.98 Da

Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52