RALIMETINIB

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Search structure


Synonyms	LSN-2322600 FREE BASE LSN2322600 FREE BASE LY-2228820 LY2228820 LY22288220 Ly-2228820 Ralimetinib
Status
Molecule Category	Free-form
UNII	73I34XW4HD
EPA CompTox	DTXSID00235456

Structure


InChI Key	XPPBBJCBDOEXDN-UHFFFAOYSA-N
Smiles	CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21
InChI	InChI=1S/C24H29FN6/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H29FN6
Molecular Weight	420.54
AlogP	5.55
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	85.41
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	31.0

Pharmacology

Mechanism of Action	Action	Reference
MAP kinase p38 alpha inhibitor	INHIBITOR	PubMed

Target Conservation


Protein: MAP kinase p38 alpha Description: Mitogen-activated protein kinase 14 Organism : Homo sapiens Q16539 ENSG00000112062

Cross References

Resources	Reference
ChEMBL	CHEMBL2364626
DrugBank	DB11787
FDA SRS	73I34XW4HD
Guide to Pharmacology	7959
PubChem	11539025
SureChEMBL	SCHEMBL3989306
ZINC	ZINC000034630490

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