Registration Dossier

Administrative data

Endpoint:
basic toxicokinetics
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
other: QSAR prediction of toxicokinetic properties, based on chemical structure and physicochemical properties
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
other: QSAR Toolbox output
Title:
No information
Author:
OECD QSAR Toolbox version 3.1
Year:
2013

Materials and methods

Objective of study:
toxicokinetics
Test guideline
Qualifier:
no guideline available
Principles of method if other than guideline:
QSAR prediction of toxicokinetic properties, based on chemical structure and physicochemical properties
GLP compliance:
no

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
other: not applicable
Details on test material:
Not applicable; QSAR predictions based on chemical structure and physicochemcial
Radiolabelling:
other: not applicable

Test animals

Species:
other: not applicable
Details on test animals and environmental conditions:
not applicable

Administration / exposure

Route of administration:
other: prediction of bioavailability relates to oral exposure
Details on exposure:
not applicable

Results and discussion

Main ADME resultsopen allclose all
Type:
absorption
Results:
oral bioavailability is predicted
Type:
metabolism
Results:
no hepatic metabolism is predicted
Type:
metabolism
Results:
no dermal metabolism is predicted

Toxicokinetic / pharmacokinetic studies

Details on absorption:
Oral bioavailability is predicted (Lipinski Rule / OASIS)
Details on distribution in tissues:
No data
Details on excretion:
No data

Metabolite characterisation studies

Metabolites identified:
no
Details on metabolites:
Rat liver S9 metabolism simulator does not predict any metabolites
Skin metabolism simulator does not predict any metabolites

Applicant's summary and conclusion

Conclusions:
Interpretation of results (migrated information): bioaccumulation potential cannot be judged based on study results
Modelling using OECD QSAR Toolbox version 3.1 predicts bioavailability and no metabolism.
Executive summary:

QSAR predictions of toxicokinetic properties were obatined, based on chemical structure and physicochemical properties of the substance. Modelling using OECD QSAR Toolbox version 3.1 predicts bioavailability (Lipinski's Rule/OASIS) and no hepatic or dermal metabolism.