Benzonitrile, 4-bromo-2-chloro-

Genetic toxicity: in vivo

Administrative data

Endpoint:

in vivo mammalian germ cell study: cytogenicity / chromosome aberration

Remarks:

Type of genotoxicity: chromosome aberration

Type of information:

(Q)SAR

Adequacy of study:

supporting study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Data source

Reference

Reference Type:

study report

Title:

Unnamed

Report date:

2015

Materials and methods

Principles of method if other than guideline:

Chromosome aberrations in vivo on rodent predictions were generated employing the predictor Leadscope Model Applier.

GLP compliance:

no

Type of assay:

chromosome aberration assay

Test material

Test material information

Constituent 1

Reference substance name:

4-bromo-2-chlorobenzonitrile

EC Number:

679-039-6

Cas Number:

154607-01-9

Molecular formula:

C7H3BrClN

IUPAC Name:

4-bromo-2-chlorobenzonitrile

Test animals

Species:

other: rodent

Results and discussion

Any other information on results incl. tables

               

Leadscope model for chromosome aberrationin vivoother rodent estimates probability that a compound will result positive in a chromosome aberrationin vivoother rodent assay.Leadscope results include a genotoxicity prediction (positive, negative or not in domain), a positive prediction probability and two parameters which assess the reliability of the prediction: 1) Model Features Count, i.e., containing structural model features that are present in the prediction model; 2) 30% Similarity Training Neighbours Count, i.e. number of training compounds with at least 30 % similarity.

Leadscope FDA Model Applier prediction forchromosome aberrationin vivoother rodentresulted to be NEGATIVE, since the positive prediction probability was equal to 0.14. Since 5 features were found, it was concluded that 4-bromo-2-chlorobenzonitrile is well represented by the model.Additionally, all the identified features are represented in negative training compounds.The robustness of the prediction was further evaluated by examining compounds similar to the target from the training set.While this information does not take part to the prediction, it provides the complementary means to see how similar compounds are predicted and what the experimental values of similar compounds are. Only one structure (Tetrachlorobenzene,1,2,4,5-) was identified in the training set as analogue to 4-bromo-2-chlorobenzonitrile, although the identified analogue is characterized by low similarity with respect to the target (similarity = 0.30).Based on that, Leadscopeprediction was assessed as borderline reliable.

Applicant's summary and conclusion

Conclusions:

Interpretation of results (migrated information): negative
The consensus assessment was based on Leadscope Model Applier, concluding that the target substance is NEGATIVE, although the prediction is of borderline reliability.