1H-Isoindole-1,3(2H)-dione, 2-[(6,11-dihydro-5H-dibenz[b,e]azepin-6-yl)methyl]-

Endpoint summary

Key value for chemical safety assessment

Genetic toxicity in vitro

Description of key information

The molecule was predicted to be mutagenic; however, the reliability of that prediction shows strong restrictions.

Link to relevant study records

Reference

Endpoint:

in vitro gene mutation study in bacteria

Type of information:

(Q)SAR

Adequacy of study:

other information

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Justification for type of information:

Documentation about the justification is provided in attachment (See Supporting information). The reliability assessment of the prediction is shown in the attached document as well (QPRF). QSAR model reporting format is shown in the QMRF file attached.

Qualifier:

equivalent or similar to guideline

Guideline:

other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.

Principles of method if other than guideline:

- Ferrari T., Gini G. An open source multistep model to predict mutagenicity from statistical analysis and relevant structural alerts. Chemistry Central Journal (2010), 4
(Suppl 1):S2
- Benigni R., Bossa C., Jeliazkova N.G., Netzeva T.I., Worth A.P. The Benigni/Bossa rulebase for mutagenicity and carcinogenicity - a module of toxtree. Technical Report EUR 23241 EN, European Commission - Joint Research Centre 2008.

Type of assay:

bacterial reverse mutation assay

Specific details on test material used for the study:

C1C2=CC=CC=C2C(NC3=CC=CC=C31)CN4C(=O)C5=CC=CC=C5C4=O

Remarks on result:

mutagenic potential (based on QSAR/QSPR prediction)

The prediction was deemed to be reliable with restrictions on the basis of the parameters listed above. The molecule might fall into the applicability domain of the model.

Conclusions:

The molecule was predicted to be mutagenic; however, the reliability of that prediction shows strong restrictions.

Justification for classification or non-classification

Due to low reliability of the predictions, data available are deemed to be inconclusive. Overall, the substance should not be classified for genetic toxicity.