Registration Dossier

Administrative data

Endpoint:
basic toxicokinetics, other
Remarks:
G.I. human passive absorption
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification, but validity of model and reliability of prediction considered adequate based on a generally acknowledged source

Data source

Referenceopen allclose all

Title:
Danish (Q)SAR Database
Author:
Division of Diet, Disease Prevention and Toxicology, National Food Institute, Technical University of Denmark
Year:
2017
Bibliographic source:
http://qsar.food.dtu.dk
Reference Type:
publication
Title:
Predicting passive intestinal absorption using a single parameter
Author:
Sanghvi T, Ni N, Mayersohn M, Yalkowsky SH
Year:
2003
Bibliographic source:
QSAR and Combinatorial Science, 22(2)2:247-257
Reference Type:
publication
Title:
A ‘Rule of Unity’ for Human Intestinal Absorption
Author:
Yalkowsky SH, Johnson JL, Sanghvi T, Machatha SG
Year:
2006
Bibliographic source:
Pharm Res.; 23(10):2475-81

Materials and methods

Objective of study:
absorption
Test guideline
Guideline:
other: REACH Guidance on QSARs R.6
Principles of method if other than guideline:
Model to predict either high or low fraction absorbed for an orally administered, passively transported substance on the basis of a new absorption parameter. The model includes only two inputs: the octanol-water partition coefficient (Kow) and the dimensionless oversaturation number (OLumen). The latter is the ratio of the concentration of drug delivered to the gastro-intestinal (GI) fluid to the solubility of the compound in that environment.

Test material

Reference
Name:
Unnamed
Type:
Constituent
Specific details on test material used for the study:
SMILES (used for QSAR prediction): C(C)(C)(S)C(C)(C)C(C)(C)C(C)C

Test animals

Species:
other: Human

Administration / exposure

Route of administration:
oral: unspecified

Results and discussion

Main ADME resultsopen allclose all
Type:
absorption
Results:
Absorption from gastrointestinal tract for 1 mg dose: 100%
Type:
absorption
Results:
Absorption from gastrointestinal tract for 1 mg dose: 90%

Applicant's summary and conclusion