TDR Targets

Basic information

Technical information

TDR Targets ID: 1569434
Name: (3Z)-5-(2,3-dihydroindol-1-ylsulfonyl)-3-[[3, 5-dimethyl-4-(4-methylpiperazine-1-carbonyl)- 1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
MW: 545.653 | Formula: C29H31N5O4S
H donors: 2 H acceptors: 4 LogP: 2.5 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: CN1CCN(CC1)C(=O)c1c(C)[nH]c(c1C)/C=C/1\C(=O)Nc2c1cc(cc2)S(=O)(=O)N1CCc2c1cccc2
InChi: 1S/C29H31N5O4S/c1-18-25(30-19(2)27(18)29(36)33-14-12-32(3)13-15-33)17-23-22-16-21(8-9-24(22)31-28(23)35)39(37,38)34-11-10-20-6-4-5-7-26(20)34/h4-9,16-17,30H,10-15H2,1-3H3,(H,31,35)/b23-17-
InChiKey: MHTSQKQLTZCFPE-QJOMJCCJSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylene]-5-indolin-1-ylsulfonyl-indolin-2-one
(3Z)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)-oxomethyl]-1H-pyrrol-2-yl]methylene]-5-(1-indolinylsulfonyl)-2-indolinone
(3Z)-3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylene]-5-indolin-1-ylsulfonyl-oxindole
(3Z)-5-(2,3-dihydroindol-1-ylsulfonyl)-3-[[3,5-dimethyl-4-(4-methylpiperazin-1-yl)carbonyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	MET proto-oncogene, receptor tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.053	0.053
Echinococcus granulosus	semaphorin 1A	0.0009	0.0819	0.0819
Schistosoma mansoni	tar DNA-binding protein	0.0064	1	1
Entamoeba histolytica	tyrosin kinase, putative	0.0005	0.0171	0.0511
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0454	0.8561
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0454	0.8561
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.3343	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.3343	1
Echinococcus granulosus	tar DNA binding protein	0.0064	1	1
Brugia malayi	TAR-binding protein	0.0064	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.3343	1
Schistosoma mansoni	hypothetical protein	0.0009	0.0819	0.0819
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.053	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0819	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0819	0.0819
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.3343	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.2174	0.6071
Onchocerca volvulus		0.0009	0.0819	0.0791
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.3343	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.2336	0.6617
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0454	0.8561
Brugia malayi	hypothetical protein	0.0009	0.0819	0.0819
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.053	0.053
Onchocerca volvulus		0.0021	0.2851	0.6351
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2336	0.2336
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.053	1
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0007	0.053	0.1586
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.3343	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0834	0.0834
Schistosoma mansoni	hypothetical protein	0.0009	0.0819	0.0819
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.3343	1
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.053	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2336	0.2336
Echinococcus multilocularis	semaphorin 5B	0.0009	0.0819	0.0819
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0454	0.8561
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.053	0.0546
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0007	0.053	0.053
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.053	0.5
Brugia malayi	Sema domain containing protein	0.0009	0.0819	0.0819
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0559	0.0559
Schistosoma mansoni	cpg binding protein	0.003	0.4459	0.4459
Echinococcus granulosus	semaphorin 5B	0.0009	0.0819	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0819	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0024	0.3343	0.3343
Loa Loa (eye worm)	oxidoreductase	0.0007	0.053	0.053
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.2174	0.6071
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0007	0.053	0.053
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0454	0.8561
Schistosoma mansoni	cpg binding protein	0.003	0.4459	0.4459
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0454	0.8561
Loa Loa (eye worm)	RNA binding protein	0.0064	1	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2336	0.2336
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0853	0.0853
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.3343	0.3343
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0454	0.8561
Brugia malayi	Plexin repeat family protein	0.0021	0.2851	0.2851
Onchocerca volvulus		0.0029	0.4184	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.3343	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2336	0.2336
Schistosoma mansoni	hypothetical protein	0.0012	0.1393	0.1393
Echinococcus multilocularis	hypothetical protein	0.0009	0.0819	0.0819
Schistosoma mansoni	tar DNA-binding protein	0.0064	1	1
Brugia malayi	CXXC zinc finger family protein	0.0029	0.4184	0.4184
Loa Loa (eye worm)	hypothetical protein	0.0007	0.053	0.053
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0853	0.0853
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0559	0.0559
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.9592	0.9592
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0007	0.053	0.053
Entamoeba histolytica	protein kinase domain containing protein	0.0005	0.0171	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0007	0.053	0.053
Schistosoma mansoni	plexin	0.0021	0.2851	0.2851
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0.053	0.5
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.3343	1
Echinococcus multilocularis	plexin a4	0.0025	0.349	0.349
Loa Loa (eye worm)	plexin A	0.0025	0.349	0.349
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0454	0.8561
Schistosoma mansoni	acetyl-CoA synthetase	0.0007	0.053	0.053
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0559	0.0559
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.2336	1
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.2336	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1393	0.1393
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.053	0.0546
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.053	0.0546
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0454	0.8561
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.053	0.5
Onchocerca volvulus		0.0024	0.3343	0.7697
Schistosoma mansoni	plexin	0.0012	0.1393	0.1393
Loa Loa (eye worm)	sema domain-containing protein	0.0009	0.0819	0.0819
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.053	0.0546
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.3343	1
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0007	0.053	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0454	0.8561
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.4184	0.4184
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.3343	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.3343	0.3343
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.053	0.0546
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0007	0.053	0.5
Trichomonas vaginalis	helicase, putative	0.0007	0.0454	0.8561
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.053	0.053
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.053	0.0546
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0007	0.053	0.5
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.053	0.0546
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.3343	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0454	0.8561
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.3343	1
Schistosoma mansoni	cpg binding protein	0.0029	0.4184	0.4184
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0559	0.0559
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.3343	1
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.053	0.053
Schistosoma mansoni	semaphorin 5-related	0.0009	0.0819	0.0819
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.053	0.0546
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0454	0.8561
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.8499	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0853	0.0853
Schistosoma mansoni	tar DNA-binding protein	0.0064	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0819	0.0819
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0007	0.053	0.053
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.3343	0.3343
Loa Loa (eye worm)	hypothetical protein	0.0021	0.2851	0.2851
Echinococcus granulosus	plexin a4	0.0025	0.349	0.349
Brugia malayi	plexin A	0.0025	0.349	0.349
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.053	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0819	0.0819
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.3343	0.3343
Schistosoma mansoni	tar DNA-binding protein	0.0064	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0819	0.0819
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0007	0.053	0.053
Loa Loa (eye worm)	hypothetical protein	0.0018	0.2336	0.2336
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0053	0.0053
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.2174	0.6071
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.2174	0.6071
Brugia malayi	RNA recognition motif domain containing protein	0.0064	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0454	0.8561
Mycobacterium ulcerans	hypothetical protein	0.0024	0.3343	1
Echinococcus granulosus	cpg binding protein	0.003	0.4459	0.4459
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0454	0.8561
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.2336	0.6421
Loa Loa (eye worm)	sema domain-containing protein	0.0009	0.0819	0.0819
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.2336	0.5
Brugia malayi	Sema domain containing protein	0.0009	0.0819	0.0819
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.3343	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0454	0.8561
Brugia malayi	AMP-binding enzyme family protein	0.0007	0.053	0.053
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0454	0.8561
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0454	0.8561
Echinococcus multilocularis	cpg binding protein	0.003	0.4459	0.4459
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.3343	1
Loa Loa (eye worm)	TAR-binding protein	0.0064	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0064	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.3343	0.3343
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.3343	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.053	1
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0559	0.0559
Brugia malayi	hypothetical protein	0.0009	0.0819	0.0819

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 40 nM	Inhibition of human c-MET	ChEMBL.	21641696

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1822971

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1569434