MUBRITINIB

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Search structure


Synonyms	Mubritinib TAK-165
Status
Molecule Category	Free-form
UNII	V734AZP9BR

Structure


InChI Key	ZTFBIUXIQYRUNT-MDWZMJQESA-N
Smiles	FC(F)(F)c1ccc(/C=C/c2nc(COc3ccc(CCCCn4ccnn4)cc3)co2)cc1
InChI	InChI=1S/C25H23F3N4O2/c26-25(27,28)21-9-4-20(5-10-21)8-13-24-30-22(18-34-24)17-33-23-11-6-19(7-12-23)3-1-2-15-32-16-14-29-31-32/h4-14,16,18H,1-3,15,17H2/b13-8+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H23F3N4O2
Molecular Weight	468.48
AlogP	6.06
Hydrogen Bond Acceptor	6.0
Number of Rotational Bond	10.0
Polar Surface Area	65.97
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	34.0

Pharmacology

Mechanism of Action	Action	Reference
Receptor protein-tyrosine kinase erbB-2 inhibitor	INHIBITOR	PubMed PubMed PubMed

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bos taurus	-	51	-	-	-
Homo sapiens	-	51-51	-	-	-

Target Conservation


Protein: Receptor protein-tyrosine kinase erbB-2 Description: Receptor tyrosine-protein kinase erbB-2 Organism : Homo sapiens P04626 ENSG00000141736

Cross References

Resources	Reference
ChEMBL	CHEMBL1614707
DrugBank	DB12682
FDA SRS	V734AZP9BR
Guide to Pharmacology	6011
PubChem	6444692
SureChEMBL	SCHEMBL94943
ZINC	ZINC000011679877

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025