BENTAMAPIMOD

/static/temp/default.svg

Search structure


Synonyms	As-602801 Bentamapimod PGL-5001
Status
Molecule Category	Free-form
UNII	TT3L4B4U0N

Structure


InChI Key	XCPPIJCBCWUBNT-UHFFFAOYSA-N
Smiles	N#CC(c1ccnc(OCc2ccc(CN3CCOCC3)cc2)n1)c1nc2ccccc2s1
InChI	InChI=1S/C25H23N5O2S/c26-15-20(24-28-22-3-1-2-4-23(22)33-24)21-9-10-27-25(29-21)32-17-19-7-5-18(6-8-19)16-30-11-13-31-14-12-30/h1-10,20H,11-14,16-17H2

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H23N5O2S
Molecular Weight	457.56
AlogP	4.15
Hydrogen Bond Acceptor	8.0
Number of Rotational Bond	7.0
Polar Surface Area	84.16
Molecular species	NEUTRAL
Aromatic Rings	4.0
Heavy Atoms	33.0

Pharmacology

Mechanism of Action	Action	Reference
c-Jun N-terminal kinase, JNK inhibitor	INHIBITOR	PubMed

Target Conservation


Protein: c-Jun N-terminal kinase, JNK Description: Mitogen-activated protein kinase 8 Organism : Homo sapiens P45983 ENSG00000107643












Protein: c-Jun N-terminal kinase, JNK Description: Mitogen-activated protein kinase 9 Organism : Homo sapiens P45984 ENSG00000050748

Cross References

Resources	Reference
ChEMBL	CHEMBL3545213
FDA SRS	TT3L4B4U0N
Guide to Pharmacology	9926
PubChem	10195250
SureChEMBL	SCHEMBL2878382

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