TDR Targets

Basic information

Technical information

TDR Targets ID: 339044
Name: 1-[3-(3-hydroxyphenyl)-5-phenyl-3,4-dihydropy razol-2-yl]ethanone
MW: 280.321 | Formula: C17H16N2O2
H donors: 1 H acceptors: 2 LogP: 2.35 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Oc1cccc(c1)C1CC(=NN1C(=O)C)c1ccccc1
InChi: 1S/C17H16N2O2/c1-12(20)19-17(14-8-5-9-15(21)10-14)11-16(18-19)13-6-3-2-4-7-13/h2-10,17,21H,11H2,1H3
InChiKey: FCMQVVJFUPUMDJ-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-[5-(3-hydroxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethanone
1-[5-(3-hydroxyphenyl)-3-phenyl-4,5-dihydropyrazol-1-yl]ethanone
Oprea1_666635

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	kinesin family member 11	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	Kinesin motor domain containing protein	Get druggable targets OG5_128460	All targets in OG5_128460
Toxoplasma gondii	kinesin motor domain-containing protein	Get druggable targets OG5_128460	All targets in OG5_128460
Schistosoma japonicum	ko:K10398 kinesin family member 11, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Echinococcus granulosus	kinesin family 1	Get druggable targets OG5_128460	All targets in OG5_128460
Entamoeba histolytica	kinesin, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Schistosoma mansoni	kinesin eg-5	Get druggable targets OG5_128460	All targets in OG5_128460
Cryptosporidium hominis	kinesin-like boursin	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium knowlesi	kinesin-5, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Candida albicans	kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium yoelii	Kinesin motor domain, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Giardia lamblia	Kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Cryptosporidium parvum	kinesin-like boursin, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Candida albicans	kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium vivax	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Neospora caninum	hypothetical protein	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium berghei	kinesin-5, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Echinococcus multilocularis	kinesin family 1	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium falciparum	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Loa Loa (eye worm)	kinesin-like protein KLP2	Get druggable targets OG5_128460	All targets in OG5_128460

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	ATP-binding cassette protein subfamily C, member 2, putative	0.003	0.0034	0.0043
Entamoeba histolytica	ATP-binding cassette protein, putative	0.003	0.0034	0.4845
Trichomonas vaginalis	heat shock protein, putative	0.0028	0	0.5
Mycobacterium tuberculosis	Conserved protein	0.0028	0	0.5
Giardia lamblia	Kinesin-5	0.0032	0.007	1
Echinococcus granulosus	multidrug resistance associated protein 1	0.003	0.0034	0.0043
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.003	0.0034	0.0043
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0502	0.7809	1
Schistosoma mansoni	kinesin eg-5	0.0032	0.007	0.0089
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0028	0	0.5
Trichomonas vaginalis	sensory transduction histidine kinase, putative	0.0028	0	0.5
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0028	0	0.5
Echinococcus granulosus	multidrug resistance associated protein 7	0.003	0.0034	0.0043
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0502	0.7809	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.003	0.003	0.4271
Trichomonas vaginalis	sensor histidine kinase, putative	0.0028	0	0.5
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.003	0.0034	0.0043
Leishmania major	pentamidine resistance protein 1	0.003	0.0034	0.0043
Mycobacterium ulcerans	putative regultory protein	0.0028	0	0.5
Mycobacterium ulcerans	DNA gyrase subunit B	0.0028	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0635	1	1
Entamoeba histolytica	hypothetical protein	0.003	0.0034	0.4845
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0028	0	0.5
Mycobacterium tuberculosis	Two component sensor histidine kinase TrcS	0.0028	0	0.5
Trypanosoma cruzi	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0176	0.2431	0.3113
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.003	0.0034	0.0043
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0502	0.7809	1
Toxoplasma gondii	hypothetical protein	0.0635	1	1
Schistosoma mansoni	hypothetical protein	0.0215	0.3087	0.3953
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0028	0	0.5
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0028	0	0.5
Mycobacterium tuberculosis	Possible two component sensor kinase	0.0028	0	0.5
Echinococcus granulosus	kinesin family 1	0.0247	0.3616	0.4631
Loa Loa (eye worm)	hypothetical protein	0.0502	0.7809	0.7809
Brugia malayi	multidrug resistance related protein 1	0.003	0.0034	0.0043
Wolbachia endosymbiont of Brugia malayi	membrane associated signal transduction histidine kinase	0.0028	0	0.5
Giardia lamblia	MRP-like ABC transporter	0.003	0.0034	0.4845
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0032	0.007	0.007
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0502	0.7809	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0034	0.0034
Trichomonas vaginalis	endoplasmin, putative	0.0028	0	0.5
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.003	0.0034	0.0043
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.003	0.0034	0.0043
Trichomonas vaginalis	receptor histidine kinase, putative	0.0028	0	0.5
Trichomonas vaginalis	heat shock protein, putative	0.0028	0	0.5
Brugia malayi	kinase, mitochondrial precursor	0.0502	0.7809	1
Toxoplasma gondii	kinesin motor domain-containing protein	0.0032	0.007	0.007
Trypanosoma brucei	p-glycoprotein	0.003	0.0034	0.0043
Schistosoma mansoni	pyruvate dehydrogenase	0.0502	0.7809	1
Mycobacterium ulcerans	two component regulator - sensor kinase	0.0028	0	0.5
Mycobacterium ulcerans	two component sensor histidine kinase PrrB	0.0028	0	0.5
Mycobacterium leprae	PUTATIVE TWO COMPONENT SENSOR HISTIDINE KINASE SENX3	0.0028	0	0.5
Brugia malayi	Kinesin motor domain containing protein	0.0032	0.007	0.0089
Mycobacterium ulcerans	two component sensor histidine kinase TrcS	0.0028	0	0.5
Schistosoma mansoni	multidrug resistance protein	0.003	0.0034	0.0043
Leishmania major	ABC-thiol transporter	0.003	0.0034	0.0043
Entamoeba histolytica	ATP-binding cassette protein, putative	0.003	0.0034	0.4845
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0635	1	1
Echinococcus multilocularis	kinesin family 1	0.0247	0.3616	0.4631
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0502	0.7809	1
Leishmania major	p-glycoprotein e	0.003	0.0034	0.0043
Mycobacterium ulcerans	two component system response phosphate sensor kinase, PhoR	0.0028	0	0.5
Trichomonas vaginalis	receptor histidine kinase, putative	0.0028	0	0.5
Giardia lamblia	Multidrug resistance-associated protein 1	0.003	0.0034	0.4845
Trypanosoma brucei	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0176	0.2431	0.3113
Leishmania major	pyruvate dehydrogenase (lipoamide) kinase, putative	0.0176	0.2431	0.3113
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0028	0	0.5
Trypanosoma cruzi	multidrug resistance protein E, putative	0.003	0.0034	0.0043
Mycobacterium ulcerans	two component sensory transduction histidine kinase MtrB	0.0028	0	0.5
Plasmodium vivax	kinesin-5	0.0032	0.007	1
Mycobacterium tuberculosis	Two component sensor histidine kinase PrrB	0.0028	0	0.5
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.003	0.0034	0.0043
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0502	0.7809	1
Schistosoma mansoni	pyruvate dehydrogenase	0.0474	0.7349	0.9411
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0028	0	0.5
Entamoeba histolytica	ATP-binding cassette protein, putative	0.003	0.0034	0.4845
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0028	0	0.5
Mycobacterium leprae	TWO COMPONENT SENSOR HISTIDINE KINASE PRRB	0.0028	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.0034	0.0034
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0028	0	0.5
Chlamydia trachomatis	DNA gyrase subunit B	0.0028	0	0.5
Brugia malayi	ABC transporter transmembrane region family protein	0.003	0.0034	0.0043
Toxoplasma gondii	pyruvate dehydrogenase kinase, putative	0.0176	0.2431	0.2431
Mycobacterium tuberculosis	Two component sensory transduction histidine kinase MtrB	0.0028	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.003	0.003
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0028	0	0.5
Mycobacterium ulcerans	two component system membrane associated sensor kinase	0.0028	0	0.5
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0203	0.2891	0.2891
Loa Loa (eye worm)	hypothetical protein	0.0635	1	1
Chlamydia trachomatis	DNA gyrase subunit B	0.0028	0	0.5
Mycobacterium tuberculosis	Possible two component sensor kinase TcrY	0.0028	0	0.5
Mycobacterium tuberculosis	Probable sensor protein KdpD	0.0028	0	0.5
Mycobacterium leprae	Probable two component sensor kinase MprB	0.0028	0	0.5
Mycobacterium tuberculosis	Two component sensor kinase [second part]	0.0028	0	0.5
Trichomonas vaginalis	sensory transduction histidine kinase bacterial, putative	0.0028	0	0.5
Trichomonas vaginalis	mismatch repair protein Mlh1C (mutL homolog)	0.0028	0	0.5
Entamoeba histolytica	multidrug resistance protein, putative	0.003	0.0034	0.4845
Mycobacterium ulcerans	two component sensor kinase MprB	0.0028	0	0.5
Schistosoma mansoni	multidrug resistance protein	0.003	0.0034	0.0043
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.003	0.0034	0.0043
Treponema pallidum	chemotaxis histidine kinase (cheA)	0.0028	0	0.5
Trichomonas vaginalis	two component sensor and regulator histidine kinase bacteria, putative	0.0028	0	0.5
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.003	0.0034	0.0034
Giardia lamblia	Multidrug resistance-associated protein 1	0.003	0.0034	0.4845
Mycobacterium ulcerans	sensor kinase from two component regulatory system	0.0028	0	0.5
Schistosoma mansoni	multidrug resistance protein	0.003	0.0034	0.0043
Entamoeba histolytica	ATP-binding cassette protein, putative	0.003	0.0034	0.4845
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0028	0	0.5
Mycobacterium leprae	Probable two-component sensor kinase	0.0028	0	0.5
Wolbachia endosymbiont of Brugia malayi	signal transduction histidine kinase and receiver	0.0028	0	0.5
Mycobacterium tuberculosis	Possible two component system response sensor kinase membrane associated PhoR	0.0028	0	0.5
Mycobacterium ulcerans	two component sensor histidine kinase SenX3	0.0028	0	0.5
Schistosoma mansoni	pyruvate dehydrogenase	0.0474	0.7349	0.9411
Plasmodium falciparum	kinesin-5	0.0032	0.007	1
Mycobacterium tuberculosis	Probable two component sensor kinase	0.0028	0	0.5
Mycobacterium tuberculosis	Two component sensor kinase MprB	0.0028	0	0.5
Entamoeba histolytica	ABC transporter, putative	0.003	0.0034	0.4845
Giardia lamblia	ABC transporter, putative	0.003	0.0034	0.4845
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.003	0.0034	0.0034
Trypanosoma brucei	multidrug resistance protein E	0.003	0.0034	0.0043
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0028	0	0.5
Entamoeba histolytica	kinesin, putative	0.0032	0.007	1
Schistosoma mansoni	multidrug resistance protein	0.003	0.0034	0.0043
Echinococcus multilocularis	multidrug resistance associated protein 1	0.003	0.0034	0.0043
Echinococcus multilocularis	multidrug resistance associated protein 7	0.003	0.0034	0.0043

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 6900 nM	In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay (n=3)	ChEMBL.	15808464
IC50 (binding)	= 6900 nM	In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay (n=3)	ChEMBL.	15808464

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: 3333657

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 339044