ORELABRUTINIB

/static/temp/default.svg

Search structure


Synonyms	ICP-022 Icp-022 Innobruka Orelabrutinib
Status
Molecule Category	Free-form
UNII	WJA5UO9E10

Structure


InChI Key	MZPVEMOYADUARK-UHFFFAOYSA-N
Smiles	C=CC(=O)N1CCC(c2ccc(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)n2)CC1
InChI	InChI=1S/C26H25N3O3/c1-2-24(30)29-16-14-18(15-17-29)23-13-12-22(26(27)31)25(28-23)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-13,18H,1,14-17H2,(H2,27,31)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C26H25N3O3
Molecular Weight	427.5
AlogP	4.53
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	85.52
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	32.0

Pharmacology

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

Target Conservation


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

Cross References

Resources	Reference
ChEMBL	CHEMBL4650321
FDA SRS	WJA5UO9E10

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025