TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 308.762 | Formula: C18H13ClN2O
H donors: 1 H acceptors: 1 LogP: 5.03 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)CNc1ccnc2c1c1ccccc1o2
InChi: 1S/C18H13ClN2O/c19-13-5-3-4-12(10-13)11-21-15-8-9-20-18-17(15)14-6-1-2-7-16(14)22-18/h1-10H,11H2,(H,20,21)
InChiKey: GSEZHGJQFPOIDD-UHFFFAOYSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	insulin-like growth factor 1 receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	insulin growth factor 1 receptor beta	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	IPR008957,Fibronectin, type III-like fold,domain-containing	Get druggable targets OG5_129857	All targets in OG5_129857
Loa Loa (eye worm)	TK/INSR protein kinase	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_129857	All targets in OG5_129857
Echinococcus multilocularis	insulin receptor	Get druggable targets OG5_129857	All targets in OG5_129857
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	IPR000494,EGF receptor, L domain,domain-containing	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	Insulin-like peptide receptor precursor, putative	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_129857	All targets in OG5_129857
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129857	All targets in OG5_129857
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_129857	All targets in OG5_129857
Echinococcus granulosus	insulin receptor	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	Insulin-like peptide receptor precursor, putative	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	ko:K08252 receptor protein-tyrosine kinase [EC2.7.10.1], putative	Get druggable targets OG5_129857	All targets in OG5_129857
Schistosoma japonicum	ko:K04527 insulin receptor, putative	Get druggable targets OG5_129857	All targets in OG5_129857
Echinococcus granulosus	insulin growth factor 1 receptor beta	Get druggable targets OG5_129857	All targets in OG5_129857

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
Echinococcus multilocularis	epidermal growth factor receptor	0.0072	0.2777	0.2777
Schistosoma mansoni	tyrosine kinase	0.0071	0.2722	0.3668
Loa Loa (eye worm)	hypothetical protein	0.0064	0.2429	0.2429
Brugia malayi	Protein kinase domain containing protein	0.0087	0.3442	0.3442
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.2457	0.331
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0469	0.0469
Echinococcus granulosus	GPCR family 3 C terminal	0.0008	0.0057	0.0057
Schistosoma mansoni	hypothetical protein	0.0008	0.0057	0.0077
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0469	0.0469
Schistosoma mansoni	tyrosine kinase	0.0071	0.2722	0.3668
Echinococcus granulosus	CAAX prenyl protease 2	0.018	0.7421	0.7421
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0469	0.0469
Treponema pallidum	hypothetical protein	0.0037	0.1291	0.5
Echinococcus granulosus	survival motor neuron protein 1	0.0241	1	1
Schistosoma mansoni	intermediate filament proteins	0.0027	0.0872	0.1175
Echinococcus multilocularis		0.0021	0.0581	0.0581
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0052	0.1916	0.1916
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.2457	0.331
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.2457	0.2457
Brugia malayi	TAR-binding protein	0.0064	0.2457	0.2457
Mycobacterium ulcerans	integral membrane protein	0.0037	0.1291	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0008	0.0008
Echinococcus multilocularis	epidermal growth factor receptor	0.0072	0.2777	0.2777
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.018	0.7421	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0093	0.3669	0.4944
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.073	0.073
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.073	0.5654
Echinococcus granulosus	intermediate filament protein	0.0027	0.0872	0.0872
Schistosoma mansoni	survival motor neuron protein	0.0049	0.1798	0.2423
Schistosoma mansoni	tyrosine kinase	0.0072	0.2777	0.3742
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0072	0.2777	0.2777
Loa Loa (eye worm)	hypothetical protein	0.0093	0.3669	0.3669
Brugia malayi	intermediate filament protein	0.0027	0.0872	0.0872
Mycobacterium ulcerans	hypothetical protein	0.0037	0.1291	1
Brugia malayi	Protein kinase domain containing protein	0.0158	0.6468	0.6468
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.018	0.7421	1
Onchocerca volvulus		0.0024	0.073	0.1989
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.018	0.7421	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0264	0.0264
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0064	0.2429	0.2429
Schistosoma mansoni	hypothetical protein	0.0049	0.1798	0.2423
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0043	0.1556	0.1556
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0059	0.222	0.2992
Loa Loa (eye worm)	hypothetical protein	0.0024	0.073	0.073
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.2457	0.331
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0426	0.3304
Echinococcus multilocularis	lamin dm0	0.0027	0.0872	0.0872
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.2457	0.331
Onchocerca volvulus		0.0027	0.0872	0.2376
Plasmodium vivax	protease, putative	0.0037	0.1291	1
Schistosoma mansoni	tyrosine kinase	0.0072	0.2777	0.3742
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.2457	0.2457
Echinococcus granulosus	lamin dm0	0.0027	0.0872	0.0872
Brugia malayi	Trypsin family protein	0.0093	0.3669	0.3669
Brugia malayi	Receptor family ligand binding region containing protein	0.0013	0.0266	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0242	0.0242
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0469	0.363
Loa Loa (eye worm)	hypothetical protein	0.0024	0.073	0.073
Mycobacterium ulcerans	hypothetical protein	0.0024	0.073	0.5654
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.073	0.5654
Echinococcus multilocularis	GPCR, family 3, C terminal	0.0008	0.0057	0.0057
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.073	1
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.2457	0.2457
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.073	0.5654
Onchocerca volvulus		0.0087	0.341	0.9294
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0037	0.1291	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.073	0.0983
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0062	0.2351	0.3168
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.073	0.5654
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.073	0.5654
Schistosoma mansoni	cpg binding protein	0.0029	0.0948	0.1277
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0266	0.0266
Mycobacterium tuberculosis	Probable integral membrane protein	0.0037	0.1291	1
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0158	0.6468	0.6468
Loa Loa (eye worm)	glutamate receptor	0.0052	0.1916	0.1916
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.2457	0.2457
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0948	0.0948
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0013	0.0266	0.0266
Schistosoma mansoni	cpg binding protein	0.0031	0.1019	0.1374
Echinococcus multilocularis	musashi	0.0027	0.0872	0.0872
Echinococcus multilocularis	insulin receptor	0.0158	0.6468	0.6468
Loa Loa (eye worm)	hypothetical protein	0.018	0.7421	0.7421
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0426	0.3304
Toxoplasma gondii	hypothetical protein	0.0037	0.1291	0.6243
Onchocerca volvulus		0.0029	0.0948	0.2584
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0064	0.2429	0.2429
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0037	0.1291	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0264	0.0264
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0084	0.0084
Plasmodium falciparum	protease, putative	0.0037	0.1291	1
Echinococcus multilocularis	lamin	0.0027	0.0872	0.0872
Echinococcus granulosus	epidermal growth factor receptor	0.0072	0.2777	0.2777
Toxoplasma gondii	hypothetical protein	0.0037	0.1291	0.6243
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0469	0.363
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.073	0.0983
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.073	0.073
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.018	0.7421	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.073	0.073
Entamoeba histolytica	CAAX amino terminal protease family	0.0037	0.1291	0.1739
Loa Loa (eye worm)	hypothetical protein	0.0241	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.073	0.0983
Echinococcus multilocularis	cpg binding protein	0.0031	0.1019	0.1019
Entamoeba histolytica	CAAX prenyl protease family	0.018	0.7421	1
Giardia lamblia	Hypothetical protein	0.018	0.7421	0.5
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.073	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0264	0.0264
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0093	0.3669	0.4944
Loa Loa (eye worm)	hypothetical protein	0.0027	0.085	0.085
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0948	0.0948
Entamoeba histolytica	CAAX amino terminal protease family	0.0037	0.1291	0.1739
Entamoeba histolytica	acyl-coA synthetase, putative	0.0024	0.073	0.0983
Brugia malayi	metabotropic glutamate receptor type 2	0.0025	0.0779	0.0779
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.073	0.5654
Echinococcus granulosus	lamin	0.0027	0.0872	0.0872
Schistosoma mansoni	tyrosine kinase	0.0072	0.2777	0.3742
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0084	0.0084
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0013	0.0266	0.0266
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0008	0.0008
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0008	0.0008
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0469	0.363
Echinococcus granulosus	tar DNA binding protein	0.0064	0.2457	0.2457
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.018	0.7421	1
Echinococcus granulosus	insulin receptor	0.0158	0.6468	0.6468
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0326	0.0326
Onchocerca volvulus		0.0049	0.1798	0.4901
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0047	0.1708	0.1708
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0426	0.3304
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0093	0.3669	0.3669
Onchocerca volvulus	Metabotropic glutamate receptor homolog	0.0008	0.0057	0.0155
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.073	0.5654
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.073	0.0983
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0872	0.0872
Schistosoma mansoni	tyrosine kinase	0.0158	0.6468	0.8715
Echinococcus multilocularis	survival motor neuron protein 1	0.0241	1	1
Loa Loa (eye worm)	RNA binding protein	0.0064	0.2457	0.2457
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.073	0.5654
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0043	0.1556	0.1556
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0057	0.0057
Toxoplasma gondii	CAAX amino terminal protease family protein	0.0037	0.1291	0.6243
Schistosoma mansoni	metabotropic glutamate receptor	0.0025	0.0779	0.1049
Mycobacterium ulcerans	hypothetical protein	0.0037	0.1291	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0024	0.073	0.0983
Schistosoma mansoni	lamin	0.0027	0.0872	0.1175
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0469	0.363
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0037	0.1291	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.1798	0.1798
Schistosoma mansoni	tyrosine kinase	0.0158	0.6468	0.8715
Onchocerca volvulus		0.0027	0.0872	0.2376
Chlamydia trachomatis	hypothetical protein	0.0037	0.1291	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0027	0.0872	0.0872
Brugia malayi	RNA binding protein	0.0064	0.2457	0.2457
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0055	0.2067	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0872	0.0872
Echinococcus granulosus	cpg binding protein	0.0031	0.1019	0.1019
Onchocerca volvulus	Poor gastrulation protein homolog	0.0008	0.0057	0.0155
Echinococcus granulosus	epidermal growth factor receptor	0.0072	0.2777	0.2777
Loa Loa (eye worm)	hypothetical protein	0.0024	0.073	0.073
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.2457	0.331
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0872	0.0872
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0008	0.001
Schistosoma mansoni	tyrosine kinase	0.0071	0.2722	0.3668
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.073	0.5654
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0008	0.0008
Brugia malayi	CAAX amino terminal protease family protein	0.018	0.7421	0.7421
Schistosoma mansoni	cpg binding protein	0.0031	0.1019	0.1374
Trypanosoma brucei	CAAX amino terminal protease, putative	0.018	0.7421	1
Loa Loa (eye worm)	glutamate receptor	0.002	0.057	0.057
Echinococcus multilocularis	CAAX prenyl protease 2	0.018	0.7421	0.7421
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0326	0.0326
Brugia malayi	Furin-like cysteine rich region family protein	0.0072	0.2777	0.2777
Loa Loa (eye worm)	hypothetical protein	0.0086	0.3388	0.3388
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0079	0.0079
Onchocerca volvulus		0.0093	0.3669	1
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0072	0.2777	0.2777
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0008	0.0057	0.0057
Schistosoma mansoni	metabotropic glutamate receptor	0.0043	0.1556	0.2097
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0469	0.0469
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0426	0.3304
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0158	0.6468	0.6468
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0242	0.0242
Loa Loa (eye worm)	TK/INSR protein kinase	0.0158	0.6468	0.6468
Schistosoma mansoni	lamin	0.0027	0.0872	0.1175
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.018	0.7421	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0469	0.0469

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.58 uM	Inhibition of IGF1R	ChEMBL.	21035334
Ki (binding)	> 1000 uM	Inhibition of VEGFR2	ChEMBL.	21035334
Ki (binding)	> 1000 uM	Inhibition of VEGFR3	ChEMBL.	21035334
Ki (binding)	> 1000 uM	Inhibition of EGFR	ChEMBL.	21035334

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: CHEMBL1290073

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 1260559