Registration Dossier

Diss Factsheets

Toxicological information

Genetic toxicity: in vitro

Currently viewing:

Administrative data

Endpoint:
genetic toxicity in vitro, other
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Study period:
2016
Reliability:
2 (reliable with restrictions)
Justification for type of information:
Results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
1. SOFTWARE: VEGA NIC 1.1.3
2. MODEL: Mutagenicity (Ames test) model (KNN/Read-Across) 1.0.0
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: C1CN(CCN1)C2=NSC3=CC=CC=C32
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL: Yes
5. APPLICABILITY DOMAIN: The compound is in the applicability domain of the model

Data source

Reference
Reference Type:
publication
Title:
Mutagenicity (Ames test) model (KNN/Read-Across) 1.0.0
Author:
Laboratory of Environmental Chemistry and Toxicology of Mario Negri Institute of Pharmacological Research
Bibliographic source:
VegaNIC v.1.1.0 (Core version 1.2.3)
Report date:
2015

Materials and methods

Test guideline
Qualifier:
according to guideline
Guideline:
other: REACH guidance on QSARs R6, May 2008
Principles of method if other than guideline:
Mutagenicity (Ames test) model (KNN/Read-Across) 1.0.0
GLP compliance:
not specified

Test material

Constituent 1
Chemical structure
Reference substance name:
3-(1-Piperazinyl)-1,2-benzisothiazole
EC Number:
618-048-1
Cas Number:
87691-87-0
Molecular formula:
C11H13N3S
IUPAC Name:
3-(1-Piperazinyl)-1,2-benzisothiazole
Test material form:
solid: particulate/powder

Results and discussion

Test results
Key result
Additional information on results:
Prediction is NON-Mutagen, the result appears reliable:
- the predicted compound is into the Applicability Domain of the model
- strongly similar compounds with known experimental value in the training set have been found
- accuracy of prediction for similar molecules found in the training set is good
- similar molecules found in the training set have experimental values that agree with the predicted value
- all atom centered fragment of the compound have been found in the compounds of the training set.
Remarks on result:
other: mutagenic potential (based on QSAR/QSPR prediction)
Remarks:
Prediction is NON-Mutagen

Applicant's summary and conclusion

Conclusions:
Prediction is NON-Mutagen.
Executive summary:

The mutagenicity was estimated using Mutagenicity (Ames test) model (KNN/Read-Across) 1.0.0. This is a valid model for this substance which falls into its applicability domain as explained in the attached reports.

Prediction is NON-Mutagen