Name of the molecules

M-CASE Output

DEREK Output

Osimertinib [OSM]

Suggested Outcome: known Negative

The query chemical is a known negative compound.

Call Confidence: High, GT1_BMUT: Bacterial Mutagenicity by OECD 471 Test: Known Negative

Calculated Probability: 77.8%, Positive Alerts: 7

Deactivating Features: 1, Fragment ID #2002: cH:[c.]1:[c.]:c:cH:n1-C₃H₃

This the deactivating/mitigating feature. Usually inhibits the effects of positive alerts.

GT_EXPERT: Expert Rules for Bacterial Mutagenicity: Known Negative

Mutagenicity in vitro is INACTIVE (No misclassified or unclassified features) in

Ÿ bacterium,

Ÿ Escherichia coli,

Ÿ Salmonella typhimurium.

Degradation Product[DP]

Suggested Outcome: Negative

Call is based on analog analysis of alerts. All identified alerts/features were found to be irrelevant to activity.

Call Confidence: Moderate, GT1_BMUT: Bacterial Mutagenicity by OECD 471 Test: Inconclusive

Calculated Probability: 46.9%, Positive Alerts: 7

Deactivating features: 4

Fragment ID #623: C₃H₃-O-C₃H₂, Fragment ID # 1017: C₃H₂-C₃H₂-O-C₃H₃, Fragment ID # 385: C₃H₂-C₃H₂-C₂(=O)-N₃H-c, Fragment ID # 2002: cH:[c.]1:[c.]:c:cH:n1-C₃H₃

These are the deactivating/mitigating feature. Usually inhibits the effects of positive alerts.

Fragment ID #2002: cH:[c.]1:[c.]:c:cH:n1-C₃H₃

GT_EXPERT: Expert Rules for Bacterial Mutagenicity: Negative

Mutagenicity in vitro is INACTIVE (No misclassified

or unclassified features) in

Ÿ bacterium,

Ÿ Escherichia coli,

Ÿ Salmonella typhimurium.