Registration Dossier

Diss Factsheets

Administrative data

Endpoint:
endocrine system modulation
Type of information:
(Q)SAR
Adequacy of study:
other information
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2014
Report date:
2014

Materials and methods

Principles of method if other than guideline:
QSAR assessment for a potential estrogen binding activity via QSAR Toolbox V3.2, EADB database, and ToxCast
Type of method:
other: QSAR

Test material

Constituent 1
Chemical structure
Reference substance name:
1,3-bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene
EC Number:
412-570-1
EC Name:
1,3-bis(3-methyl-2,5-dioxo-1H-pyrrolinylmethyl)benzene
Cas Number:
119462-56-5
Molecular formula:
Hill formula: C18 H16 N2 O4
IUPAC Name:
3-methyl-1-({3-[(3-methyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl]phenyl}methyl)-2,5-dihydro-1H-pyrrole-2,5-dione

Results and discussion

Details on results:
An internal QSAR assessment for potential estrogen binding activity via QSAR Toolbox V3.2, EADB database, and ToxCast revealed the substance as non-binder.

Applicant's summary and conclusion

Executive summary:

An internal QSAR assessment for potential estrogen binding activity via QSAR Toolbox V3.2, EADB database, and ToxCast revealed the substance as non-binder.