TDR Targets

Basic information

Technical information

TDR Targets ID: 1073481
Name: N-[(2-chlorophenyl)methyl]-6,7-dimethoxy-1,4- dihydroindeno[2,3-d]pyrazol-3-amine
MW: 355.818 | Formula: C19H18ClN3O2
H donors: 2 H acceptors: 1 LogP: 4.26 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1OC)Cc1c2[nH]nc1NCc1ccccc1Cl
InChi: 1S/C19H18ClN3O2/c1-24-16-8-12-7-14-18(13(12)9-17(16)25-2)22-23-19(14)21-10-11-5-3-4-6-15(11)20/h3-6,8-9H,7,10H2,1-2H3,(H2,21,22,23)
InChiKey: XRDITBBJGIFEBN-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

(2-chlorobenzyl)-(6,7-dimethoxy-1,4-dihydroindeno[2,3-d]pyrazol-3-yl)amine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	eukaryotic translation initiation factor 2-alpha kinase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	protein kinase, putative	Get druggable targets OG5_130490	All targets in OG5_130490
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_130490	All targets in OG5_130490
Loa Loa (eye worm)	PEK/HRI protein kinase	Get druggable targets OG5_130490	All targets in OG5_130490
Trypanosoma brucei gambiense	protein kinase, putative	Get druggable targets OG5_130490	All targets in OG5_130490
Brugia malayi	hypothetical protein	Get druggable targets OG5_130490	All targets in OG5_130490
Trypanosoma brucei	protein kinase, putative	Get druggable targets OG5_130490	All targets in OG5_130490
Echinococcus multilocularis	eukaryotic translation initiation factor 2 alpha	Get druggable targets OG5_130490	All targets in OG5_130490
Leishmania braziliensis	protein kinase	Get druggable targets OG5_130490	All targets in OG5_130490
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_130490	All targets in OG5_130490
Echinococcus granulosus	eukaryotic translation initiation factor 2 alpha	Get druggable targets OG5_130490	All targets in OG5_130490
Leishmania infantum	protein kinase, putative	Get druggable targets OG5_130490	All targets in OG5_130490
Trypanosoma congolense	protein kinase, putative	Get druggable targets OG5_130490	All targets in OG5_130490
Leishmania major	protein kinase, putative	Get druggable targets OG5_130490	All targets in OG5_130490
Leishmania mexicana	protein kinase, putative	Get druggable targets OG5_130490	All targets in OG5_130490
Trypanosoma brucei	eukaryotic translation initiation factor 2-alpha kinase 1, putative	Get druggable targets OG5_130490	All targets in OG5_130490
Trypanosoma congolense	protein kinase, putative	Get druggable targets OG5_130490	All targets in OG5_130490

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
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0292	0.0301
Brugia malayi	Importin beta-1 subunit	0.0031	0.0478	0.1675
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0108	0.2906	0.2748
Entamoeba histolytica	protein kinase domain containing protein	0.01	0.2665	0.2645
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.9469	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0478	0.2517
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0055	0.1251	0.4219
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.1251	0.1116
Echinococcus granulosus	Niemann Pick C1 protein	0.0106	0.2854	0.2695
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0278	0.0243
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0478	0.0266
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0055	0.1251	1
Schistosoma mansoni	hypothetical protein	0.0044	0.0884	0.0681
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0055	0.1251	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0292	0.008
Brugia malayi	hypothetical protein	0.01	0.2665	0.9338
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0055	0.1251	1
Leishmania major	hypothetical protein, conserved	0.0025	0.0278	0.0243
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.9469	1
Echinococcus multilocularis	eukaryotic translation initiation factor 2 alpha	0.01	0.2665	0.2501
Echinococcus granulosus	Niemann Pick C1 protein	0.0152	0.4296	0.4169
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0055	0.1251	1
Echinococcus multilocularis	expressed conserved protein	0.01	0.265	0.2486
Echinococcus multilocularis	Niemann Pick C1 protein	0.0152	0.4296	0.4169
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0154	0.4367	0.5
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0315	0.9469	1
Trypanosoma brucei	protein kinase, putative	0.0055	0.1251	0.4219
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0478	0.0266
Brugia malayi	CHE-14 protein	0.0046	0.0936	0.3279
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.9469	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.9469	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0315	0.9469	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0055	0.1251	0.1055
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0478	0.0266
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.1251	0.1116
Trypanosoma brucei	protein kinase, putative	0.01	0.2665	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0278	0.0575
Brugia malayi	RNA, U transporter 1	0.0088	0.2293	0.8032
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.9469	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0278	0.2287
Echinococcus granulosus	eukaryotic translation initiation factor 2 alpha	0.01	0.2665	0.2501
Echinococcus granulosus	sterol regulatory element binding protein	0.0046	0.0936	0.0734
Schistosoma mansoni	hypothetical protein	0.0044	0.0884	0.0681
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0936	0.0734
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.1251	0.1116
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0292	0.008
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0292	0.008
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.9469	1
Loa Loa (eye worm)	hypothetical protein	0.0056	0.126	0.1065
Giardia lamblia	Kinase, CMGC MAPK	0.0055	0.1251	0.1116
Echinococcus granulosus	mitogen activated protein kinase	0.0055	0.1251	0.1055
Plasmodium falciparum	importin beta, putative	0.0031	0.0478	1
Brugia malayi	hypothetical protein	0.0025	0.0278	0.0973
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0478	0.1062
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0055	0.1251	0.1055
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0278	0.2287
Echinococcus granulosus	expressed conserved protein	0.01	0.265	0.2486
Loa Loa (eye worm)	PEK/HRI protein kinase	0.01	0.2665	0.2501
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0046	0.0936	0.0734
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0278	0.0575
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.9469	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0278	0.2287
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0478	0.1062
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0218	0.0765
Trypanosoma brucei	eukaryotic translation initiation factor 2-alpha kinase 1, putative	0.01	0.2665	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0154	0.4367	0.5
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0292	0.0714
Schistosoma mansoni	hypothetical protein	0.0044	0.0884	0.0681
Leishmania major	protein kinase, putative	0.01	0.2665	1
Schistosoma mansoni	importin beta-1	0.0031	0.0478	0.0266
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0278	0.0061
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0055	0.1251	0.1055
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0055	0.1251	0.4219
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0936	0.0776
Echinococcus multilocularis	sterol regulatory element binding protein	0.0046	0.0936	0.0734
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0154	0.4367	0.5
Echinococcus multilocularis	protein patched	0.0046	0.0936	0.0734
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0278	0.0575
Giardia lamblia	Fructose-bisphosphate aldolase	0.0315	0.9469	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0106	0.2854	0.2849
Entamoeba histolytica	protein kinase domain containing protein	0.01	0.2665	0.2645
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0478	1
Echinococcus multilocularis	mitogen activated protein kinase	0.0055	0.1251	0.1055
Echinococcus multilocularis	Niemann Pick C1 protein	0.0106	0.2854	0.2695
Brugia malayi	MAP kinase sur-1	0.0055	0.1251	0.4382
Entamoeba histolytica	hypothetical protein	0.0025	0.0292	0.008
Schistosoma mansoni	patched 1	0.0046	0.0936	0.0734
Echinococcus granulosus	mitogen activated protein kinase 3	0.0055	0.1251	0.1055
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0315	0.9469	1
Trichomonas vaginalis	CMGC family protein kinase	0.0055	0.1251	0.1116
Echinococcus multilocularis	protein dispatched 1	0.0052	0.114	0.0942
Loa Loa (eye worm)	hypothetical protein	0.0106	0.2854	0.2695
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0055	0.1251	1
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0055	0.1251	0.4219
Schistosoma mansoni	hypothetical protein	0.0044	0.0884	0.0681
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0315	0.9469	1
Brugia malayi	Niemann-Pick C1 protein precursor	0.0106	0.2854	1
Echinococcus granulosus	Protein patched homolog 1	0.0046	0.0936	0.0734

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6.7	Inhibition of human HRI kinase	ChEMBL.	19854648

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: CHEMBL573763

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 1073481