TDR Targets

Basic information

Technical information

TDR Targets ID: 501543
Name: 1-(1H-indazol-4-yl)-3-(6-methyl-2,3-dihydro-1 H-inden-1-yl)urea
MW: 306.362 | Formula: C18H18N4O
H donors: 3 H acceptors: 2 LogP: 2.84 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cccc2c1cn[nH]2)NC1CCc2c1cc(C)cc2
InChi: 1S/C18H18N4O/c1-11-5-6-12-7-8-16(13(12)9-11)21-18(23)20-15-3-2-4-17-14(15)10-19-22-17/h2-6,9-10,16H,7-8H2,1H3,(H,19,22)(H2,20,21,23)
InChiKey: ICPVUQZAKSTNQF-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

1-(1H-indazol-4-yl)-3-(6-methylindan-1-yl)urea
1-(1H-indazol-4-yl)-3-(6-methyl-1-indanyl)urea
3-(1H-indazol-4-yl)-1-(6-methyl-2,3-dihydro-1H-inden-1-yl)urea
3-(1H-indazol-4-yl)-1-(6-methylindan-1-yl)urea
3-(1H-indazol-4-yl)-1-(6-methyl-1-indanyl)urea

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	transient receptor potential cation channel, subfamily V, member 1	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
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0039	0.0144	0.0079
Toxoplasma gondii	glucose-6-phosphate isomerase GPI	0.005	0.0276	0.0212
Echinococcus granulosus	6 phosphogluconolactonase	0.0135	0.134	0.1244
Loa Loa (eye worm)	pyruvate kinase	0.0036	0.0109	0.0109
Giardia lamblia	Fructose-bisphosphate aldolase	0.032	0.3638	1
Trypanosoma cruzi	fructose-bisphosphate aldolase, glycosomal, putative	0.083	1	1
Giardia lamblia	6-phosphogluconate dehydrogenase, decarboxylating	0.012	0.1153	0.2958
Mycobacterium tuberculosis	Probable 6-phosphogluconate dehydrogenase Gnd1	0.012	0.1153	0.6999
Toxoplasma gondii	PAN domain-containing protein	0.0513	0.6042	0.6017
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.032	0.3638	1
Toxoplasma gondii	fructose-bisphosphate aldolase, putative	0.083	1	1
Echinococcus granulosus	fructose 16 bisphosphate aldolase	0.083	1	1
Trypanosoma brucei	6-phosphogluconolactonase	0.0135	0.134	0.1244
Echinococcus granulosus	glucose 6 phosphate isomerase	0.005	0.0276	0.0169
Trypanosoma cruzi	6-phosphogluconolactonase, putative	0.0135	0.134	0.1244
Schistosoma mansoni	fructose 16-bisphosphate aldolase	0.083	1	1
Toxoplasma gondii	fructose-1,6-bisphosphate aldolase	0.083	1	1
Trypanosoma brucei	glucosamine-6-phosphate isomerase, putative	0.0039	0.0144	0.0036
Trichomonas vaginalis	6-phosphogluconate dehydrogenase, putative	0.012	0.1153	0.2958
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.0039	0.0144	0.01
Chlamydia trachomatis	glucose-6-phosphate isomerase	0.005	0.0276	0.1356
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0036	0.0109	0.0044
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.032	0.3638	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0065	0.0065
Treponema pallidum	6-phosphogluconate dehydrogenase	0.012	0.1153	0.2608
Trypanosoma brucei	6-phosphogluconate dehydrogenase, decarboxylating	0.012	0.1153	0.1055
Schistosoma mansoni	glucose-6-phosphate isomerase	0.005	0.0276	0.0169
Leishmania major	6-phosphogluconolactonase	0.0135	0.134	0.1244
Schistosoma mansoni	6-phosphogluconate dehydrogenase	0.012	0.1153	0.1055
Mycobacterium ulcerans	6-phosphogluconolactonase	0.0135	0.134	0.8252
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0156	0.16	1
Trypanosoma brucei	glucose-6-phosphate isomerase, glycosomal	0.005	0.0276	0.0169
Echinococcus multilocularis	6 phosphogluconolactonase	0.0135	0.134	0.1328
Plasmodium falciparum	fructose-bisphosphate aldolase	0.083	1	1
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.0039	0.0144	0.0036
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0039	0.0144	0.01
Entamoeba histolytica	glucose-6-phosphate isomerase, putative	0.005	0.0276	0.0377
Toxoplasma gondii	fructose-1,6-bisphosphate aldolase	0.083	1	1
Trypanosoma cruzi	fructose-bisphosphate aldolase, glycosomal, putative	0.083	1	1
Echinococcus multilocularis	pyruvate kinase	0.0036	0.0109	0.0096
Echinococcus granulosus	fructose 16 bisphosphate aldolase	0.083	1	1
Trypanosoma brucei	fructose-bisphosphate aldolase, glycosomal, putative	0.083	1	1
Toxoplasma gondii	PAN domain-containing protein	0.0513	0.6042	0.6017
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0036	0.0109	0.0044
Schistosoma mansoni	6-phosphogluconolactonase	0.0135	0.134	0.1244
Trypanosoma cruzi	6-phosphogluconate dehydrogenase, decarboxylating, putative	0.012	0.1153	0.1055
Echinococcus multilocularis	pyruvate kinase	0.0036	0.0109	0.0096
Mycobacterium tuberculosis	Probable 6-phosphogluconate dehydrogenase, decarboxylating Gnd2	0.012	0.1153	0.6999
Trypanosoma cruzi	fructose-bisphosphate aldolase, glycosomal, putative	0.083	1	1
Mycobacterium ulcerans	6-phosphogluconate dehydrogenase	0.012	0.1153	0.6999
Leishmania major	fructose-1,6-bisphosphate aldolase	0.083	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0065	0.0065
Echinococcus multilocularis	glucose 6 phosphate isomerase	0.005	0.0276	0.0263
Echinococcus multilocularis	fructose 1,6 bisphosphate aldolase	0.083	1	1
Schistosoma mansoni	fructose 16-bisphosphate aldolase	0.083	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0065	0.0065
Trypanosoma cruzi	glucose-6-phosphate isomerase, glycosomal, putative	0.005	0.0276	0.0169
Loa Loa (eye worm)	phosphoglucose isomerase	0.005	0.0276	0.0276
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.0039	0.0144	0.0036
Chlamydia trachomatis	6-phosphogluconate dehydrogenase	0.012	0.1153	0.8482
Loa Loa (eye worm)	PAN domain-containing protein	0.0033	0.0065	0.0065
Treponema pallidum	glucose-6-phosphate 1-dehydrogenase	0.0135	0.134	0.3164
Leishmania major	6-phosphogluconate dehydrogenase, decarboxylating, putative	0.012	0.1153	0.1055
Loa Loa (eye worm)	hypothetical protein	0.005	0.0276	0.0276
Trypanosoma cruzi	6-phosphogluconolactonase, putative	0.0135	0.134	0.1244
Leishmania major	glucose-6-phosphate isomerase	0.005	0.0276	0.0169
Loa Loa (eye worm)	fructose-bisphosphate aldolase 1	0.083	1	1
Loa Loa (eye worm)	pyruvate kinase	0.0036	0.0109	0.0109
Echinococcus multilocularis	fructose 1,6 bisphosphate aldolase	0.083	1	1
Echinococcus multilocularis	fructose bisphosphate aldolase class I	0.083	1	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0033	0.0065	0.0065
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.032	0.3638	1
Loa Loa (eye worm)	6-phosphogluconolactonase	0.0135	0.134	0.134
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0065	0.0065
Echinococcus multilocularis	6 phosphogluconate dehydrogenase	0.012	0.1153	0.1141
Giardia lamblia	Glucose-6-phosphate isomerase	0.005	0.0276	0.0473
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.032	0.3638	1
Giardia lamblia	Glucose-6-phosphate 1-dehydrogenase	0.0039	0.0144	0.01
Loa Loa (eye worm)	fructose-bisphosphate aldolase 2	0.083	1	1
Plasmodium falciparum	glucose-6-phosphate isomerase	0.005	0.0276	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0065	0.0065
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.032	0.3638	1
Leishmania major	glucosamine-6-phosphate isomerase, putative	0.0039	0.0144	0.0036
Mycobacterium tuberculosis	Probable glucose-6-phosphate isomerase Pgi (GPI) (phosphoglucose isomerase) (phosphohexose isomerase) (phi)	0.005	0.0276	0.1119
Giardia lamblia	Glucosamine-6-phosphate deaminase	0.0039	0.0144	0.01
Plasmodium vivax	glucose-6-phosphate isomerase, putative	0.005	0.0276	0.0169
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0039	0.0144	0.01
Echinococcus multilocularis	fructose 1,6 bisphosphate aldolase	0.083	1	1
Brugia malayi	fructose-bisphosphate aldolase 1	0.083	1	1
Loa Loa (eye worm)	pgd protein	0.012	0.1153	0.1153
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.032	0.3638	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0156	0.16	1
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0039	0.0144	0.01
Schistosoma mansoni	glucosamine-6-phosphate isomerase	0.0039	0.0144	0.0036
Onchocerca volvulus	Pyruvate kinase homolog	0.0036	0.0109	1
Brugia malayi	6-phosphogluconolactonase family protein	0.0135	0.134	0.1283
Loa Loa (eye worm)	PAN domain-containing protein	0.0033	0.0065	0.0065
Trypanosoma cruzi	6-phosphogluconate dehydrogenase, decarboxylating	0.0072	0.0547	0.0443
Toxoplasma gondii	pyruvate kinase PyK1	0.0036	0.0109	0.0044
Trichomonas vaginalis	glucose-6-phosphate isomerase, putative	0.005	0.0276	0.0473
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.032	0.3638	1
Toxoplasma gondii	6-phosphogluconate dehydrogenase	0.012	0.1153	0.1095
Mycobacterium leprae	Probable glucose-6-phosphate isomerase Pgi (phosphoglucose isomerase) (phosphohexose isomerase) (PHI)	0.005	0.0276	0.1119
Echinococcus granulosus	fructose 16 bisphosphate aldolase	0.083	1	1
Treponema pallidum	fructose-bisphosphate aldolase	0.032	0.3638	1
Trypanosoma cruzi	fructose-bisphosphate aldolase, glycosomal, putative	0.083	1	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0036	0.0109	1
Plasmodium vivax	6-phosphogluconate dehydrogenase, decarboxylating, putative	0.012	0.1153	0.1055
Schistosoma mansoni	6-phosphogluconolactonase	0.0135	0.134	0.1244
Brugia malayi	glucose phosphate isomerase a	0.005	0.0276	0.0212
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0156	0.16	1
Loa Loa (eye worm)	pyruvate kinase	0.0036	0.0109	0.0109
Trichomonas vaginalis	6-phosphogluconate dehydrogenase, putative	0.012	0.1153	0.2958
Trypanosoma cruzi	glucose-6-phosphate isomerase, glycosomal, putative	0.005	0.0276	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0065	0.0065
Echinococcus granulosus	6 phosphogluconate dehydrogenase	0.012	0.1153	0.1055
Giardia lamblia	Glucosamine-6-phosphate deaminase	0.0039	0.0144	0.01
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.032	0.3638	1
Trypanosoma cruzi	6-phosphogluconate dehydrogenase, decarboxylating, putative	0.0049	0.026	0.0153
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0065	0.0065
Plasmodium vivax	fructose 1,6-bisphosphate aldolase, putative	0.083	1	1
Plasmodium falciparum	6-phosphogluconate dehydrogenase, decarboxylating, putative	0.012	0.1153	0.1055
Echinococcus granulosus	fructose bisphosphate aldolase class I	0.083	1	1
Mycobacterium tuberculosis	Probable 6-phosphogluconolactonase DevB (6PGL)	0.0096	0.085	0.4968
Schistosoma mansoni	transcription initiation factor iia (tfiia) gamma chain	0.0049	0.026	0.0153
Trypanosoma cruzi	glucosamine-6-phosphate isomerase, putative	0.0039	0.0144	0.0036
Trichomonas vaginalis	3-hydroxyisobutyrate dehydrogenase, putative	0.012	0.1153	0.2958
Mycobacterium leprae	PROBABLE 6-PHOSPHOGLUCONATE DEHYDROGENASE GND1	0.012	0.1153	0.6999
Mycobacterium ulcerans	6-phosphogluconate dehydrogenase	0.012	0.1153	0.6999
Loa Loa (eye worm)	PAN domain-containing protein	0.0033	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0109	0.0109
Mycobacterium leprae	Probable 6-phosphogluconolactonase DevB (6PGL)	0.0135	0.134	0.8252
Mycobacterium ulcerans	glucose-6-phosphate isomerase	0.005	0.0276	0.1119
Trichomonas vaginalis	glucose-6-phosphate isomerase, putative	0.005	0.0276	0.0473
Toxoplasma gondii	6-phosphogluconate dehydrogenase	0.012	0.1153	0.1095
Onchocerca volvulus	Pyruvate kinase homolog	0.0036	0.0109	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.032	0.3638	1
Trypanosoma cruzi	glucosamine-6-phosphate isomerase, putative	0.0039	0.0144	0.0036
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.032	0.3638	1
Chlamydia trachomatis	6-phosphogluconolactonase	0.0135	0.134	1
Loa Loa (eye worm)	PAN domain-containing protein	0.0033	0.0065	0.0065
Brugia malayi	6-phosphogluconate dehydrogenase, decarboxylating, putative	0.012	0.1153	0.1095

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7200 nM	Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux	ChEMBL.	18183945
IC50 (binding)	= 7200 nM	Blockade of human TRPV1 receptor assessed as inhibition of capsaicin-induced calcium flux	ChEMBL.	18183945

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

PubChem: 11426745

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 501543