PIRTOBRUTINIB

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Search structure


Synonyms	LOXO-305 LY-3527727 LY3527727 Loxo-305 Pirtobrutinib RXC-005
Status
Molecule Category	Free-form
UNII	JNA39I7ZVB

Structure


InChI Key	FWZAWAUZXYCBKZ-NSHDSACASA-N
Smiles	COc1ccc(F)cc1C(=O)NCc1ccc(-c2nn([C@@H](C)C(F)(F)F)c(N)c2C(N)=O)cc1
InChI	InChI=1S/C22H21F4N5O3/c1-11(22(24,25)26)31-19(27)17(20(28)32)18(30-31)13-5-3-12(4-6-13)10-29-21(33)15-9-14(23)7-8-16(15)34-2/h3-9,11H,10,27H2,1-2H3,(H2,28,32)(H,29,33)/t11-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C22H21F4N5O3
Molecular Weight	479.43
AlogP	3.43
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	125.26
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	34.0

Pharmacology

Mechanism of Action	Action	Reference
Tyrosine-protein kinase BTK inhibitor	INHIBITOR	Other

Target Conservation


Protein: Tyrosine-protein kinase BTK Description: Tyrosine-protein kinase BTK Organism : Homo sapiens Q06187 ENSG00000010671

Cross References

Resources	Reference
ChEMBL	CHEMBL4650485
FDA SRS	JNA39I7ZVB

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