Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMLWYJB)

Drug Name

JNK-IN-8 Drug Info

Synonyms

JNK-IN-8; 1410880-22-6; JNK Inhibitor XVI; 3-[[(E)-4-(dimethylamino)but-2-enoyl]amino]-N-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide; JNK-IN8; GTPL8058; CHEMBL2216824; SCHEMBL14979761; BDBM86633; DTXSID40720937; CHEBI:124918; MolPort-035-395-752; EX-A2206; BCP09744; ZINC89464842; s4901; AKOS030526496; SB19427; CS-0601; NCGC00386243-05; HY-13319; BC600656; Y1469; SW219193-1; W-5897; J-007458; 3-{[(2E)-4-(Dimethylamino)but-2-enoyl]amino}-N-(3-methyl-4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Cross-matching ID

PubChem CID: 57340686
ChEBI ID: CHEBI:124918
CAS Number: CAS 1410880-22-6
TTD Drug ID: DMLWYJB

Molecule-Related Drug Atlas

Molecule Type:

DTT

DOT

Drug Status:

Patented Agent(s)

Investigative Drug(s)

Clinical Trial Drug(s)

Approved Drug(s)

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Drug(s) Targeting Stress-activated protein kinase JNK3 (JNK3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID25991433-Compound-A1	DM89LF0	N. A.	N. A.	Patented	[3]
PMID25991433-Compound-F2	DM37VIQ	N. A.	N. A.	Patented	[3]
7-azaindole derivative 1	DMQL5B7	N. A.	N. A.	Patented	[3]
7-azaindole derivative 5	DMV3H98	N. A.	N. A.	Patented	[3]
PMID25991433-Compound-P6	DMNDVC9	N. A.	N. A.	Patented	[3]
PMID25991433-Compound-J3	DM17P3F	N. A.	N. A.	Patented	[3]
PMID25991433-Compound-P1	DMD8AX6	N. A.	N. A.	Patented	[3]
PMID25991433-Compound-O3	DMVOWS5	N. A.	N. A.	Patented	[3]
PMID25991433-Compound-J2	DMZSOCK	N. A.	N. A.	Patented	[3]
7-azaindole derivative 3	DMQ7BV4	N. A.	N. A.	Patented	[3]
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Drug(s) Targeting JNK2 messenger RNA (JNK2 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide	DMUFVM6	Discovery agent	N.A.	Investigative	[4]
AS-601245	DMQ95EB	Discovery agent	N.A.	Investigative	[5]
Aminopyridine deriv. 2	DM94KQP	Discovery agent	N.A.	Investigative	[4]
IN-1166	DMMS6D3	Discovery agent	N.A.	Investigative	[6]
N-(4-amino-5-cyano-6-ethoxypyridin-2-yl)acetamide	DMY1FMG	Discovery agent	N.A.	Investigative	[4]
N-(4-amino-6-butoxy-5-cyanopyridin-2-yl)acetamide	DMSAD87	Discovery agent	N.A.	Investigative	[4]
AC1LG8KT	DMFKV97	Discovery agent	N.A.	Investigative	[7]
ISIS 18078	DMHZPJ0	Solid tumour/cancer	2A00-2F9Z	Investigative	[8]
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Drug(s) Targeting Stress-activated protein kinase JNK1 (JNK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
NKP-1339	DM5AWK1	Solid tumour/cancer	2A00-2F9Z	Phase 1	[9]
PMID25991433-Compound-A1	DM89LF0	N. A.	N. A.	Patented	[3]
PMID25991433-Compound-F2	DM37VIQ	N. A.	N. A.	Patented	[3]
7-azaindole derivative 1	DMQL5B7	N. A.	N. A.	Patented	[3]
7-azaindole derivative 5	DMV3H98	N. A.	N. A.	Patented	[3]
PMID25991433-Compound-P6	DMNDVC9	N. A.	N. A.	Patented	[3]
PMID25991433-Compound-J3	DM17P3F	N. A.	N. A.	Patented	[3]
PMID25991433-Compound-P1	DMD8AX6	N. A.	N. A.	Patented	[3]
PMID25991433-Compound-O3	DMVOWS5	N. A.	N. A.	Patented	[3]
PMID25991433-Compound-L1	DM2135Y	N. A.	N. A.	Patented	[3]
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Drug(s) Affected By Cell division cycle and apoptosis regulator protein 1 (CCAR1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[10]
Marinol	DM70IK5	Anorexia nervosa cachexia	6B80	Approved	[11]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[12]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[13]
Benzatropine	DMF7EXL	Parkinsonian disorder		Approved	[10]
Clozapine	DMFC71L	Schizophrenia	6A20	Approved	[10]
Paclitaxel	DMLB81S	Breast carcinoma		Approved	[14]
Bortezomib	DMNO38U	Leukemia		Approved	[15]
Doxorubicin	DMVP5YE	Acute myelogenous leukaemia	2A41	Approved	[16]
Vorinostat	DMWMPD4	Adult acute monocytic leukemia		Approved	[17]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
JNK2 messenger RNA (JNK2 mRNA)	TT3IVG2	MK09_HUMAN	Inhibitor	[1]
Stress-activated protein kinase JNK1 (JNK1)	TT0K6EO	MK08_HUMAN	Inhibitor	[1]
Stress-activated protein kinase JNK3 (JNK3)	TT056SO	MK10_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cell division cycle and apoptosis regulator protein 1 (CCAR1)	OTUXLQZZ	CCAR1_HUMAN	Gene/Protein Processing	[2]

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References

1	Discovery of potent and selective covalent inhibitors of JNK. Chem Biol. 2012 Jan 27;19(1):140-54.
2	A H2AX?CARP-1 Interaction Regulates Apoptosis Signaling Following DNA Damage. Cancers (Basel). 2019 Feb 14;11(2):221. doi: 10.3390/cancers11020221.
3	c-Jun N-terminal kinase inhibitors: a patent review (2010 - 2014).Expert Opin Ther Pat. 2015;25(8):849-72.
4	Aminopyridine-based c-Jun N-terminal kinase inhibitors with cellular activity and minimal cross-kinase activity. J Med Chem. 2006 Jun 15;49(12):3563-80.
5	The selectivity of protein kinase inhibitors: a further update. Biochem J. 2007 Dec 15;408(3):297-315.
6	Synthesis and biological evaluation of 4(5)-(6-alkylpyridin-2-yl)imidazoles as transforming growth factor-beta type 1 receptor kinase inhibitors. J Med Chem. 2007 Jun 28;50(13):3143-7.
7	N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3. Bioorg Med Chem Lett. 2007 Mar 1;17(5):1296-301.
8	US patent application no. 7,425,545, Modulation of C-reactive protein expression.
9	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1496).
10	Cannabidiol Displays Proteomic Similarities to Antipsychotics in Cuprizone-Exposed Human Oligodendrocytic Cell Line MO3.13. Front Mol Neurosci. 2021 May 28;14:673144. doi: 10.3389/fnmol.2021.673144. eCollection 2021.
11	Delta9-tetrahydrocannabinol inhibits cytotrophoblast cell proliferation and modulates gene transcription. Mol Hum Reprod. 2006 May;12(5):321-33. doi: 10.1093/molehr/gal036. Epub 2006 Apr 5.
12	Human embryonic stem cell-derived test systems for developmental neurotoxicity: a transcriptomics approach. Arch Toxicol. 2013 Jan;87(1):123-43.
13	Quantitative proteomics reveals a broad-spectrum antiviral property of ivermectin, benefiting for COVID-19 treatment. J Cell Physiol. 2021 Apr;236(4):2959-2975. doi: 10.1002/jcp.30055. Epub 2020 Sep 22.
14	Marked regression of liver metastasis by combined therapy of ultrasound-mediated NF kappaB-decoy transfer and transportal injection of paclitaxel, in mouse. Int J Cancer. 2008 Apr 1;122(7):1645-56. doi: 10.1002/ijc.23280.
15	Curcumin suppresses growth of mesothelioma cells in vitro and in vivo, in part, by stimulating apoptosis. Mol Cell Biochem. 2011 Nov;357(1-2):83-94. doi: 10.1007/s11010-011-0878-2. Epub 2011 May 19.
16	CARP-1 functional mimetics: a novel class of small molecule inhibitors of medulloblastoma cell growth. PLoS One. 2013 Jun 24;8(6):e66733. doi: 10.1371/journal.pone.0066733. Print 2013.
17	Definition of transcriptome-based indices for quantitative characterization of chemically disturbed stem cell development: introduction of the STOP-Toxukn and STOP-Toxukk tests. Arch Toxicol. 2017 Feb;91(2):839-864.