[No public or meaningful name is available]

Endpoint summary

Key value for chemical safety assessment

Genetic toxicity in vitro

Description of key information

In vitro citogenicity/ micronucleus study

Link to relevant study records

Reference

Endpoint:

in vitro cytogenicity / micronucleus study

Type of information:

(Q)SAR

Adequacy of study:

other information

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Justification for type of 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.

Type of assay:

in vitro mammalian cell micronucleus test

Specific details on test material used for the study:

CC1=C(C(=O)O[C@@]1(C)C(F)(F)F)C2=C(C(=C(C=C2)F)F)OC

Remarks on result:

ambiguous mutagenic potential (based on QSAR/QSPR prediction)

Remarks:

Prediction is Active, but the result shows some critical aspects, which require to be checked: - Only moderately similar compounds with known experimental value in the training set have been found - similar molecules found in the training set have experimental values that disagree with the predicted value The following relevant fragments have been found: Micronucleus active alert no. 30; Micronucleus active alert no. 31; Micronucleus inactive alert no. 36; Micronucleus inactive alert no. 40; Micronucleus inactive alert no. 41; Micronucleus active alert no. 48; Micronucleus active alert no. 63; Micronucleus inactive alert no. 67; Micronucleus active alert no. 84; Micronucleus active alert no. 90; Micronucleus inactive alert no. 102; Micronucleus inactive alert no. 105; Micronucleus active alert no. 138

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

Conclusions:

The molecule was predicted to be Active, but the result shows some critical aspects, which require to be checked:
- Only moderately similar compounds with known experimental value in the training set have been found
- similar molecules found in the training set have experimental values that disagree with the predicted value.
The following relevant fragments have been found: Micronucleus active alert no. 30; Micronucleus active alert no. 31; Micronucleus inactive alert no. 36; Micronucleus inactive alert no. 40; Micronucleus inactive alert no. 41; Micronucleus active alert no. 48; Micronucleus active alert no. 63; Micronucleus inactive alert no. 67; Micronucleus active alert no. 84; Micronucleus active alert no. 90; Micronucleus inactive alert no. 102; Micronucleus inactive alert no. 105; Micronucleus active alert no. 138

Endpoint conclusion

Endpoint conclusion:

adverse effect observed (positive)

Genetic toxicity in vivo

Description of key information

In vivo genotoxicity. In vivo Micronucleus activity

Link to relevant study records

Reference

Endpoint:

in vivo mammalian somatic cell study: cytogenicity / erythrocyte micronucleus

Remarks:

In vivo Micronucleus activity

Type of information:

(Q)SAR

Adequacy of study:

other information

Reliability:

2 (reliable with restrictions)

Rationale for reliability incl. deficiencies:

results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Justification for type of information:

The reliability assessment of the prediction is presented in the attached document as well (QPRF).

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.

Type of assay:

not specified

Specific details on test material used for the study:

CC1=C(C(=O)O[C@@]1(C)C(F)(F)F)C2=C(C(=C(C=C2)F)F)OC

Key result

Genotoxicity:

negative

Toxicity:

no effects

Remarks on result:

other: Prediction and Applicability Domain analysis for models: In vivo Micronucleus activity (IRFMN) 1.0.2

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

Conclusions:

The molecule was predicted to be NON-genotoxic.

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (negative)

Justification for classification or non-classification

QSAR models were used to predict the genetic toxicity of substance VRT-1097043. 

Nevertheless, due to the discrepancy between the result of models it is not possible to conclude regarding genetic toxicity of substance.