TDR Targets

Basic information

Technical information

TDR Targets ID: 341423
Name: 1-[5-(3-chlorophenyl)-3-phenyl-3,4-dihydropyr azol-2-yl]ethanone
MW: 298.767 | Formula: C17H15ClN2O
H donors: 0 H acceptors: 1 LogP: 3.33 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)C1=NN(C(C1)c1ccccc1)C(=O)C
InChi: 1S/C17H15ClN2O/c1-12(21)20-17(13-6-3-2-4-7-13)11-16(19-20)14-8-5-9-15(18)10-14/h2-10,17H,11H2,1H3
InChiKey: ZBUCZGHIOYWIFJ-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-[3-(3-chlorophenyl)-5-phenyl-2-pyrazolin-1-yl]ethanone
1-[3-(3-chlorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl]ethanone

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
Loa Loa (eye worm)	kinesin-like protein KLP2	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
Plasmodium falciparum	kinesin-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
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
Schistosoma mansoni	kinesin eg-5	Get druggable targets OG5_128460	All targets in OG5_128460
Giardia lamblia	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 vivax	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Entamoeba histolytica	kinesin, 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
Echinococcus multilocularis	kinesin family 1	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
Plasmodium knowlesi	kinesin-5, putative	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
Echinococcus granulosus	kinesin family 1	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
Brugia malayi	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

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	hypothetical protein, conserved	0.007	0.0108	0.152
Schistosoma mansoni	geranylgeranyl transferase type II beta subunit	0.007	0.0108	0.0794
Plasmodium vivax	farnesyltransferase beta subunit, putative	0.0165	0.0712	0.8412
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0223	0.1085	0.796
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0095	0.0262	0.3101
Trichomonas vaginalis	type I geranylgeranyltransferase beta subunit, putative	0.0165	0.0712	0.2286
Schistosoma mansoni	acetolactate synthase	0.0109	0.0358	0.2624
Trypanosoma cruzi	lanosterol synthase, putative	0.007	0.0108	0.152
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0165	0.0712	0.2838
Trypanosoma cruzi	geranylgeranyl transferase type II beta subunit, putative	0.007	0.0108	0.152
Onchocerca volvulus		0.0541	0.3114	1
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0267	0.1363	0.5433
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0165	0.0712	0.2286
Entamoeba histolytica	protein farnesyltransferase beta subunit, putative	0.0165	0.0712	0.5223
Echinococcus multilocularis	geranylgeranyl transferase type I beta subunit	0.0267	0.1363	1
Plasmodium falciparum	acyl-CoA synthetase	0.0073	0.0127	0.1498
Echinococcus multilocularis	protein farnesyltransferase alpha subunit	0.0186	0.0846	0.621
Loa Loa (eye worm)	hypothetical protein	0.007	0.0108	0.0431
Echinococcus multilocularis	kinesin family 1	0.0247	0.1238	0.9088
Onchocerca volvulus		0.0223	0.1085	0.2847
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0099	0.0288	0.4049
Giardia lamblia	Prenyltransferase	0.0165	0.0712	0.8412
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0099	0.0288	0.2115
Plasmodium vivax	prenyltransferase alpha subunit, putative	0.0186	0.0846	1
Mycobacterium tuberculosis	Halimadienyl diphosphate synthase	0.007	0.0108	0.0112
Entamoeba histolytica	protein farnesyltransferase alpha subunit, putative	0.0186	0.0846	0.621
Schistosoma mansoni	protein farnesyltransferase subunit beta	0.0165	0.0712	0.5223
Echinococcus granulosus	kinesin family 1	0.0247	0.1238	0.9088
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.007	0.0108	0.152
Toxoplasma gondii	prenyltransferase and squalene oxidase repeat-containing protein	0.0165	0.0712	1
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0165	0.0712	1
Trichomonas vaginalis	set domain proteins, putative	0.0541	0.3114	1
Entamoeba histolytica	Rab geranylgeranyltransferase beta subunit, putative	0.007	0.0108	0.0794
Brugia malayi	Pre-SET motif family protein	0.0099	0.0288	0.1149
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0097	0.0277	0.1104
Brugia malayi	Prenyltransferase and squalene oxidase repeat family protein	0.0165	0.0712	0.2838
Trichomonas vaginalis	geranylgeranyl transferase type beta subunit, putative	0.0165	0.0712	0.2286
Mycobacterium ulcerans	acetolactate synthase	0.0073	0.0127	0.0127
Mycobacterium ulcerans	acetolactate synthase large subunit IlvB	0.0073	0.0127	0.0127
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.007	0.0108	0.0347
Trichomonas vaginalis	protein farnesyltransferase beta subunit, putative	0.007	0.0108	0.0347
Toxoplasma gondii	hypothetical protein	0.0138	0.0538	0.7563
Echinococcus granulosus	protein farnesyltransferase alpha subunit	0.0186	0.0846	0.621
Plasmodium vivax	geranylgeranyl transferase type2 beta subunit, putative	0.007	0.0108	0.1278
Mycobacterium ulcerans	pyruvate or indole-3-pyruvate decarboxylase Pdc	0.0073	0.0127	0.0127
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0099	0.0288	0.2115
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0138	0.0538	0.1729
Schistosoma mansoni	protein farnesyltransferase alpha subunit	0.0186	0.0846	0.621
Echinococcus granulosus	histone lysine methyltransferase setb	0.0099	0.0288	0.2115
Plasmodium falciparum	protein farnesyltransferase subunit alpha	0.0186	0.0846	1
Toxoplasma gondii	Rab geranylgeranyl transferase type II beta subunit, putative	0.007	0.0108	0.152
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0097	0.0277	0.2032
Mycobacterium leprae	PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE)	0.0128	0.0477	0.0477
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0415	0.1654
Giardia lamblia	Rab geranylgeranyltransferase	0.007	0.0108	0.1278
Plasmodium falciparum	geranylgeranyl transferase type2 beta subunit, putative	0.007	0.0108	0.1278
Plasmodium falciparum	geranylgeranyltransferase, putative	0.007	0.0108	0.1278
Brugia malayi	Thiamine pyrophosphate enzyme, central domain containing protein	0.0128	0.0477	0.19
Echinococcus granulosus	protein farnesyltransferase subunit beta	0.0165	0.0712	0.5223
Trypanosoma brucei	lanosterol synthase	0.007	0.0108	0.152
Trypanosoma cruzi	hypothetical protein, conserved	0.007	0.0108	0.152
Trichomonas vaginalis	protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative	0.0186	0.0846	0.2717
Brugia malayi	Protein prenyltransferase alpha subunit repeat containing protein	0.0186	0.0846	0.3374
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0099	0.0288	0.2115
Echinococcus granulosus	L aminoadipate semialdehyde	0.0097	0.0277	0.2032
Trypanosoma cruzi	lanosterol synthase, putative	0.007	0.0108	0.152
Mycobacterium tuberculosis	Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase)	0.0055	0.0009	0.0009
Trypanosoma brucei	geranylgeranyl transferase type II beta subunit, putative	0.007	0.0108	0.152
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0165	0.0712	0.2286
Leishmania major	farnesyltransferase beta subunit	0.0165	0.0712	1
Loa Loa (eye worm)	hypothetical protein	0.0186	0.0846	0.3374
Plasmodium falciparum	protein farnesyltransferase subunit beta	0.0165	0.0712	0.8412
Brugia malayi	Probable protein farnesyltransferase beta subunit, putative	0.007	0.0108	0.0431
Loa Loa (eye worm)	thiamine pyrophosphate enzyme	0.0073	0.0128	0.0509
Schistosoma mansoni	hypothetical protein	0.0215	0.1033	0.7582
Brugia malayi	Pre-SET motif family protein	0.0446	0.2508	1
Mycobacterium tuberculosis	Probable oxalyl-CoA decarboxylase OxcA	0.0128	0.0477	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0288	0.1149
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0446	0.2508	1
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0186	0.0846	0.2717
Entamoeba histolytica	geranylgeranyl transferase beta subunit	0.0267	0.1363	1
Mycobacterium ulcerans	acetolactate synthase 1 catalytic subunit	0.0128	0.0477	0.0477
Plasmodium vivax	SET domain protein, putative	0.0099	0.0288	0.3406
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0099	0.0288	0.2115
Trichomonas vaginalis	protein farnesyltransferase alpha subunit, putative	0.0186	0.0846	0.2717
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0455	0.1815
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0099	0.0288	0.2115
Giardia lamblia	Rab geranylgeranyltransferase	0.0186	0.0846	1
Plasmodium vivax	geranylgeranyltransferase, putative	0.007	0.0108	0.1278
Loa Loa (eye worm)	prenyltransferase alpha subunit repeat containing protein	0.0186	0.0846	0.3374
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0095	0.0265	0.1945
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0165	0.0712	0.2286
Trypanosoma brucei	protein farnesyltransferase beta subunit	0.0165	0.0712	1
Mycobacterium leprae	Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS)	0.0128	0.0477	0.0477
Mycobacterium ulcerans	putative oxalyl-CoA decarboxylase	0.0128	0.0477	0.0477
Leishmania major	putative pyruvate/indole-pyruvate carboxylase, putative	0.0073	0.0127	0.1781
Loa Loa (eye worm)	hypothetical protein	0.007	0.0108	0.0431
Echinococcus multilocularis	protein farnesyltransferase subunit beta	0.0165	0.0712	0.5223
Trypanosoma cruzi	protein farnesyltransferase, putative	0.0165	0.0712	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0277	0.1104
Echinococcus granulosus	geranylgeranyl transferase type I beta subunit	0.0267	0.1363	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0073	0.0127	0.1498
Mycobacterium ulcerans	mycothiol conjugate amidase Mca	0.162	1	1
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0267	0.1363	1
Leishmania major	geranylgeranyltransferase, putative	0.007	0.0108	0.152
Schistosoma mansoni	acetolactate synthase	0.0109	0.0358	0.2624
Brugia malayi	SET domain containing protein	0.0128	0.0478	0.1908
Mycobacterium tuberculosis	Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS)	0.0128	0.0477	0.0493
Mycobacterium ulcerans	hypothetical protein	0.0128	0.0477	0.0477
Mycobacterium tuberculosis	Mycothiol conjugate amidase Mca (mycothiol S-conjugate amidase)	0.1567	0.9659	1
Loa Loa (eye worm)	ILVBL protein	0.0078	0.0154	0.0614
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0097	0.0277	0.2032
Trichomonas vaginalis	geranylgeranyl transferase type II beta subunit, putative	0.0165	0.0712	0.2286
Loa Loa (eye worm)	prenyltransferase and squalene oxidase repeat family protein	0.0267	0.1363	0.5433
Echinococcus multilocularis	Rab geranylgeranyltransferase, beta subunit	0.007	0.0108	0.0794
Trichomonas vaginalis	geranylgeranyl transferase type I beta subunit, putative	0.0267	0.1363	0.4376
Schistosoma mansoni	geranylgeranyl transferase type I beta subunit	0.0267	0.1363	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 9800 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)	= 9800 nM	Inhibition of KSP (unknown origin)	ChEMBL.	17095225
IC50 (binding)	= 9800 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)	= 9800 nM	Inhibition of KSP (unknown origin)	ChEMBL.	17095225

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: CHEMBL380814
PubChem: 10171750

Bibliographic References

2 literature references were 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 341423