Registration Dossier

Administrative data

Endpoint:
skin sensitisation: in vivo (LLNA)
Type of information:
migrated information: read-across based on grouping of substances (category approach)
Adequacy of study:
supporting study
Reliability:
other: Prediction confidence is measured by the p-value = 0.0312 (moderate confidence)
Rationale for reliability incl. deficiencies:
other: QSAR Toolbox: moderate confidence

Data source

Reference
Reference Type:
other: QSAR
Title:
Unnamed
Year:
2015
Report Date:
2015

Materials and methods

Test guideline
Qualifier:
according to
Guideline:
OECD Guideline 429 (Skin Sensitisation: Local Lymph Node Assay)
GLP compliance:
no
Type of study:
mouse local lymph node assay (LLNA)

Test material

Reference
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES:COc1ccc(C(=O)Nc2ccccc2)cc1N(=O)=O

In vivo test system

Test animals

Species:
mouse
Strain:
CBA

Results and discussion

Any other information on results incl. tables






The prediction was based on dataset comprised from the following descriptors: "Skin Sensitisation"
Estimation method: Takes highest mode value from the 5 nearest neighbours
Domain  logical expression:Result: In Domain

(("a" and "b" )  and ("c" and "d" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Acylation AND Acylation >> Ester aminolysis AND Acylation >> Ester aminolysis >> Amides by Protein binding alerts for skin sensitization by OASIS v1.3

Domain logical expression index: "b"

Similarity boundary:Target: COc1ccc(C(=O)Nc2ccccc2)cc1N(=O)=O
Threshold=20%,
Dice(Atom centered fragments)
Atom type; Count H attached; Hybridization

Domain logical expression index: "c"

Parametric boundary:The target chemical should have a value of log Kow which is >= -1.89

Domain logical expression index: "d"

Parametric boundary:The target chemical should have a value of log Kow which is <= 8.25

Applicant's summary and conclusion

Interpretation of results:
not sensitising
Remarks:
Migrated information
Conclusions:
Based on the analysis of OECD QSAR Toolbox, the target substance is considered as non sensitizer.

Findings do not meet criteria for classification according to Regulation (EC) No 1272/2008.
Executive summary: