3,5-diiodosalicylic acid

Endpoint summary

Key value for chemical safety assessment

Skin sensitisation

Link to relevant study records

Reference

Endpoint:

skin sensitisation: in vivo (non-LLNA)

Type of information:

(Q)SAR

Adequacy of study:

key study

Reliability:

2 (reliable with restrictions)

Justification for type of information:

QSAR prediction: migrated from IUCLID 5.6

Qualifier:

according to guideline

Guideline:

other: Estimated data

Principles of method if other than guideline:

Prediction is done using QSAR Toolbox version 3.1

GLP compliance:

not specified

Type of study:

guinea pig maximisation test

Species:

guinea pig

Strain:

not specified

Sex:

not specified

Route:

other: no data

Vehicle:

no data

Route:

other: unspecified

Vehicle:

no data

Positive control substance(s):

not specified

Reading:

1st reading

Group:

test chemical

Clinical observations:

Weak-Sensitizer

Remarks on result:

other: Reading: 1st reading. Group: test group. Clinical observations: Weak-Sensitizer.

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

(((("a" and ("b" and ( not "c") )  )  and "d" )  and "e" )  and ("f" and "g" )  )

Domain logical expression index: "a"

Referential boundary: The target chemical should be classified as Phenols (Acute toxicity) by US-EPA New Chemical Categories

Domain logical expression index: "b"

Referential boundary: The target chemical should be classified as Not possible to classify according to these rules (GSH) by Protein binding potency

Domain logical expression index: "c"

Referential boundary: The target chemical should be classified as Moderately reactive (GSH) OR Moderately reactive (GSH) >> Alkyl 2-alkenoates (MA) OR Moderately reactive (GSH) >> Substituted 1-Alken-3-ones (MA) by Protein binding potency

Domain logical expression index: "d"

Referential boundary: The target chemical should be classified as Bioavailable by Lipinski Rule Oasis

Domain logical expression index: "e"

Similarity boundary:Target: C(=O)(O)c1c(O)c(I)cc(I)c1
Threshold=20%,
Dice(Atom centered fragments)

Domain logical expression index: "f"

Parametric boundary:The target chemical should have a value of log Kow which is >= 4.49

Domain logical expression index: "g"

Parametric boundary:The target chemical should have a value of log Kow which is <= 4.84

Interpretation of results:

not sensitising

Remarks:

Migrated information Criteria used for interpretation of results: EU

Conclusions:

According to the quantitative structure activity relationship model prediction, 3,5-diiodosalicylic acid was predicted as not being sensitizing to guinea pig skin by Guinea pig maximisation test

Executive summary:

According to the quantitative structure activity relationship model prediction, 3,5-diiodosalicylic acid was predicted as not being sensitizing to guinea pig skin by Guinea pig maximisation test

Endpoint conclusion

Endpoint conclusion:

no adverse effect observed (not sensitising)

Additional information:

The substance 3,5-diiodosalicylic acid was estimated to be weak sensitizing to skin of guinea pig in guinea pig maximization test.

Migrated from Short description of key information:
3,5-diiodosalicylic acid was predicted as weak sensitizing to guinea pig skin.

Justification for selection of skin sensitisation endpoint:
The substance 3,5-diiodosalicylic acid was estimated to be weak sensitizing to skin of guinea pig in guinea pig maximization test.

Justification for classification or non-classification

3,5-diiodosalicylic acid was predicted as weak sensitizing to guinea pig skin and thus the same can not be considered for classification.