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Diss Factsheets

Administrative data

Endpoint:
skin sensitisation: in chemico
Remarks:
QSAR
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2017
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 adequate and reliable documentation / justification
Justification for type of information:
QSAR

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2017
Report date:
2017

Materials and methods

Principles of method if other than guideline:
QSAR
GLP compliance:
no

Test material

1
Chemical structure
Reference substance name:
Indole
EC Number:
204-420-7
EC Name:
Indole
Cas Number:
120-72-9
Molecular formula:
C8H7N
IUPAC Name:
1H-indole
Test material form:
solid

In chemico test system

Details on the study design:
The skin sensitization of the target Indole was predicted employing two different in silico approaches: the QSAR statistical model as provided by Vega and the decision rule system provided by Toxtree. In the case of the target Indole, Toxtree did not identify any skin sensitization reactivity domain alert, while Vega provided a positive prediction of moderate reliability. Thus, following a conservative approach, it was concluded that the target compound Indole is predicted as SKIN SENSITIZER and the prediction was assessed as moderate reliable.

Results and discussion

In vitro / in chemico

Results
Key result
Run / experiment:
other: : the QSAR statistical model as provided by Vega and the decision rule system provided by Toxtree.
Parameter:
other: Skin sensitisation
Remarks:
QSAR
Vehicle controls validity:
not specified
Negative controls validity:
not specified
Positive controls validity:
not specified
Remarks on result:
positive indication of skin sensitisation

Applicant's summary and conclusion

Interpretation of results:
Category 1 (skin sensitising) based on GHS criteria
Conclusions:
The skin sensitization of the target Indole was predicted employing two different in silico approaches: the QSAR statistical model as provided by Vega and the decision rule system provided by Toxtree. In the case of the target Indole, Toxtree did not identify any skin sensitization reactivity domain alert, while Vega provided a positive prediction of moderate reliability. Thus, following a conservative approach, it was concluded that the target compound Indole is predicted as SKIN SENSITIZER and the prediction was assessed as moderate reliable.

Indole is skin sensitiser. Skin sens 1. (H317) May cause an allergic skin reaction.
Executive summary:

Indole is skin sensitiser. Skin sens 1. (H317) May cause an allergic skin reaction.