TDR Targets

Basic information

Technical information

TDR Targets ID: 1464779
Name: 1-[[1,3-di(phenyl)pyrazol-4-yl]methyl]-3-(fur an-2-ylmethyl)thiourea
MW: 388.485 | Formula: C22H20N4OS
H donors: 2 H acceptors: 1 LogP: 3.69 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: S=C(NCc1ccco1)NCc1cn(nc1c1ccccc1)c1ccccc1
InChi: 1S/C22H20N4OS/c28-22(24-15-20-12-7-13-27-20)23-14-18-16-26(19-10-5-2-6-11-19)25-21(18)17-8-3-1-4-9-17/h1-13,16H,14-15H2,(H2,23,24,28)
InChiKey: ZACRQVPEQCMMKZ-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-[[1,3-di(phenyl)pyrazol-4-yl]methyl]-3-(2-furylmethyl)thiourea
1-[[1,3-di(phenyl)-4-pyrazolyl]methyl]-3-(2-furylmethyl)thiourea
IVK/1319932

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0259	0.0083	0.0021
Trichomonas vaginalis	PIKK family atypical protein kinase	0.072	0.0386	0.4537
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1319	0.0778	0.8698
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1211	0.0707	0.9366
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.037	0.0156	0.1088
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0259	0.0083	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0279	0.0096	0.0194
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0397	0.0174	0.1358
Leishmania major	hypothetical protein, conserved	0.562	0.3599	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.037	0.0156	0.1088
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0259	0.0083	0.107
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1234	0.0723	0.1818
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0514	0.025	0.0168
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0729	0.0391	0.3852
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.037	0.0156	0.0237
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.1106	0.0639	0.1677
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1211	0.0707	0.9366
Loa Loa (eye worm)	phosphatidylinositol 3	0.0248	0.0076	0.0963
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.0733	0.9756
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1319	0.0778	0.0701
Mycobacterium leprae	conserved hypothetical protein	0.0259	0.0083	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0719	0.0385	0.4945
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.0733	0.9756
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1275	0.075	0.1895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1211	0.0707	0.9366
Loa Loa (eye worm)	hypothetical protein	0.0773	0.042	0.5306
Trichomonas vaginalis	PIKK family atypical protein kinase	0.123	0.072	0.9561
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0756	0.0409	0.4894
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.037	0.0156	0.0907
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1275	0.075	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0737	0.0396	0.4699
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0697	0.037	0.029
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.037	0.0156	0.1088
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0817	0.0449	0.5495
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0508	0.0246	0.3163
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0697	0.037	0.4759
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0508	0.0246	0.2446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1275	0.075	1
Toxoplasma gondii	FATC domain-containing protein	0.0729	0.0391	0.4736
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1255	0.0737	0.9805
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1255	0.0737	0.9805
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0737	0.0396	0.4699
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1275	0.075	0.0672
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0259	0.0083	0.107
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0508	0.0246	0.2446
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0508	0.0246	0.2446
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.037	0.0156	0.0073
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1319	0.0778	0.2094
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1319	0.0778	0.0701
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1319	0.0778	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.1106	0.0639	0.8334
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0729	0.0391	0.5024
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0697	0.037	0.431
Loa Loa (eye worm)	phosphatidylinositol 3	0.0259	0.0083	0.1052
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.1106	0.0639	0.1677
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1275	0.075	0.8337
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1319	0.0778	0.2094
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1106	0.0639	0.8203
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0894	0.05	0.6252
Loa Loa (eye worm)	hypothetical protein	0.0697	0.037	0.4677
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0259	0.0083	0.1052
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.072	0.0386	0.4537
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0697	0.037	0.0877
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.037	0.0156	1
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.037	0.0156	0.1088
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.037	0.0156	0.1967
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1275	0.075	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0259	0.0083	0.1052
Loa Loa (eye worm)	phosphatidylinositol 3	0.1234	0.0723	0.9123
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0372	0.0157	0.2019
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1275	0.075	0.2008
Onchocerca volvulus		0.0259	0.0083	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0729	0.0391	0.462
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1255	0.0737	0.1858
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0259	0.0083	0.0021
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1255	0.0737	0.9805
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1236	0.0724	0.9611
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1255	0.0737	0.9805
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1231	0.072	0.9561
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0508	0.0246	0.0507
Onchocerca volvulus		0.0259	0.0083	0.5
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.037	0.0156	0.0206
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0729	0.0391	0.0939
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1234	0.0723	0.9594
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1211	0.0707	0.9366
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.1478	0.0882	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1275	0.075	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0847	0.0469	0.5783
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0291	0.0104	0.0059
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1231	0.072	0.9561
Trichomonas vaginalis	conserved hypothetical protein	0.0773	0.042	0.5057
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1234	0.0723	0.9594
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1231	0.072	0.9561
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1211	0.0707	0.1775
Trypanosoma cruzi	target of rapamycin kinase 3	0.1255	0.0737	0.197
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0793	0.0433	0.5252
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0508	0.0246	0.2039
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1275	0.075	0.2008
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0469	0.0221	0.0432
Trichomonas vaginalis	conserved hypothetical protein	0.0514	0.025	0.2506
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0259	0.0083	0.0021
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0508	0.0246	0.2446
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	1.5381	1	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.1106	0.0639	0.8334
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0729	0.0391	0.462
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1255	0.0737	0.9806
Leishmania major	phosphatidylinositol 3-kinase, putative	0.037	0.0156	0.0206
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.037	0.0156	0.0237
Echinococcus multilocularis	serine protein kinase ATM	0.0729	0.0391	0.031
Loa Loa (eye worm)	phosphatidylinositol 3	0.1275	0.075	0.9465
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0697	0.037	0.029
Trichomonas vaginalis	conserved hypothetical protein	0.0438	0.02	0.1758
Loa Loa (eye worm)	phosphatidylinositol 3	0.0259	0.0083	0.1052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.0733	0.9756
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.0733	0.9756
Brugia malayi	FAT domain containing protein	0.0514	0.025	0.3215
Loa Loa (eye worm)	hypothetical protein	0.0719	0.0385	0.4861
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0742	0.04	0.4748
Entamoeba histolytica	protein kinase rad3, putative	0.0697	0.037	0.431
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.0733	0.9756
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.037	0.0156	0.1115
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1275	0.075	1
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0514	0.025	0.0168
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1275	0.075	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0761	0.0413	0.4943
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0697	0.037	0.3593
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0508	0.0246	0.2446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0737	0.0396	0.4699
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1275	0.075	0.9629
Trichomonas vaginalis	PIKK family atypical protein kinase	0.123	0.072	0.9561
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0773	0.042	0.5183
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.02	0.1758
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.0733	0.9756
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1275	0.075	0.0672
Entamoeba histolytica	hypothetical protein	0.0729	0.0391	0.462
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.037	0.0156	0.0073
Loa Loa (eye worm)	phosphatidylinositol 3	0.0259	0.0083	0.1052
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0894	0.05	0.6252
Entamoeba histolytica	hypothetical protein	0.0968	0.0548	0.6976
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0291	0.0104	0.0083
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.0733	0.9756
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1275	0.075	0.1895
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0719	0.0385	0.0304
Loa Loa (eye worm)	hypothetical protein	0.0469	0.0221	0.2792
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.1478	0.0882	0.0806
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0259	0.0083	0.0021
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.037	0.0156	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1236	0.0724	0.9611
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.037	0.0156	0.1115
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1275	0.075	1
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0299	0.0109	0.0389
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0581	0.0294	0.317
Loa Loa (eye worm)	hypothetical protein	0.0514	0.025	0.316
Loa Loa (eye worm)	hypothetical protein	0.0259	0.0083	0.1052
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.037	0.0156	0.0073
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.1478	0.0882	0.0806
Echinococcus multilocularis	Zinc finger, PHD finger	0.037	0.0156	0.0073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.123	0.072	0.9561
Giardia lamblia	GTOR	0.1275	0.075	1
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.037	0.0156	0.2001
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.037	0.0156	0.1088
Trypanosoma cruzi	hypothetical protein, conserved	0.5361	0.3429	1
Loa Loa (eye worm)	hypothetical protein	0.0387	0.0167	0.2108
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0508	0.0246	0.2446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1231	0.072	0.9561
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0968	0.0548	0.6976
Loa Loa (eye worm)	phosphatidylinositol 3	0.134	0.0792	1
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0719	0.0385	0.0304
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.1106	0.0639	0.8334
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1255	0.0737	0.9805
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.037	0.0156	0.1088
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0259	0.0083	0.107
Echinococcus granulosus	serine protein kinase ATM	0.0729	0.0391	0.031
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1211	0.0707	0.9366
Schistosoma mansoni	hypothetical protein	0.0514	0.025	0.2089
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.037	0.0156	0.0907
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.1106	0.0639	0.8334
Toxoplasma gondii	target of rapamycin (TOR), putative	0.125	0.0733	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 1.73 %	Displacement of fluormone PPAR-green from N-terminal His-tagged human PPARgamma-LBD assessed as logarithm unit binding affinity value at 10 uM after 2 hrs by fluorescence polarization assay	ChEMBL.	21030263
Activity (binding)	= 2.09 %	Displacement of fluormone PPAR-green from N-terminal His-tagged human PPARgamma-LBD after 2 hrs by fluorescence polarization assay	ChEMBL.	21030263

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: CHEMBL1629975

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 1464779