canertinib (Q5032274)

267243-28-7 (English)

3 October 2016

chemical formula

C₂₄H₂₅ClFN₅O₃

1 reference

267243-28-7 (English)

3 October 2016

canonical SMILES

C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4

1 reference

267243-28-7 (English)

World Health Organisation international non-proprietary name

3 October 2016

canertinib (English)

1 reference

canertinib (English)

physically interacts with

3 October 2016

epidermal growth factor receptor

subject has role

enzyme inhibitor

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Erb-b2 receptor tyrosine kinase 2

17 August 2016

subject has role

enzyme inhibitor

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)

17 August 2016

Identifiers

InChI

1 reference

267243-28-7 (English)

3 October 2016

2 references

267243-28-7 (English)

3 October 2016

ChEBI release 2020-09-01

2 references

canertinib (English)

3 October 2016

https://commonchemistry.cas.org/detail?cas_rn=267243-28-7

8 April 2021

1 reference

Canertinib (English)

3 October 2016

2 references

267243-28-7 (English)

3 October 2016

ChEBI ID

61399

mapping relation type

2 references

canertinib (English)

3 October 2016

International Chemical Identifier

InChI

InChI=1S/C24H25ClFN5O3/c1-2-23(32)30-21-13-17-20(14-22(21)34-9-3-6-31-7-10-33-11-8-31)27-15-28-24(17)29-16-4-5-19(26)18(25)12-16/h2,4-5,12-15H,1,3,6-11H2,(H,30,32)(H,27,28,29)

1 reference

CANERTINIB (English)

3 October 2016

2 references

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

1 reference

2 references

DSSTOX compound identifier

DTXCID1028869

0 references

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

canertinib (English)

3 October 2016

1 reference

Human Metabolome Database ID

HMDB0249583

2 references

based on heuristic

inferred from InChIKey

UNII

C78W1K5ASF

2 references

Global Substance Registration System

UNII

C78W1K5ASF

CANERTINIB (English)

3 October 2016