TDR Targets

Basic information

Technical information

TDR Targets ID: 370851
Name: 1-[3-(4-chlorophenyl)propyl]imidazole
MW: 220.698 | Formula: C12H13ClN2
H donors: 0 H acceptors: 1 LogP: 2.89 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)CCCn1cncc1
InChi: 1S/C12H13ClN2/c13-12-5-3-11(4-6-12)2-1-8-15-9-7-14-10-15/h3-7,9-10H,1-2,8H2
InChiKey: CLJJKXWBLJQDDT-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Cytochrome P450 17A1	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Drosophila melanogaster	Cytochrome P450-4d1	Cytochrome P450 17A1	507 aa	465 aa	24.1 %
Drosophila melanogaster	CG1829 gene product from transcript CG1829-RB	Cytochrome P450 17A1	507 aa	476 aa	22.3 %
Trypanosoma cruzi	cytochrome P450, putative	Cytochrome P450 17A1	507 aa	428 aa	22.9 %
Dictyostelium discoideum	cytochrome P450 family protein	Cytochrome P450 17A1	507 aa	518 aa	24.7 %
Dictyostelium discoideum	cytochrome P450 family protein	Cytochrome P450 17A1	507 aa	502 aa	22.5 %
Dictyostelium discoideum	cytochrome P450 family protein	Cytochrome P450 17A1	507 aa	423 aa	22.9 %
Drosophila melanogaster	CG7241 gene product from transcript CG7241-RA	Cytochrome P450 17A1	507 aa	477 aa	27.9 %
Trypanosoma cruzi	cytochrome P450, putative	Cytochrome P450 17A1	507 aa	428 aa	22.7 %
Dictyostelium discoideum	cytochrome P450 family protein	Cytochrome P450 17A1	507 aa	532 aa	25.4 %
Onchocerca volvulus		Cytochrome P450 17A1	507 aa	453 aa	24.1 %
Drosophila melanogaster	shadow	Cytochrome P450 17A1	507 aa	470 aa	23.0 %
Dictyostelium discoideum	cytochrome P450 family protein	Cytochrome P450 17A1	507 aa	490 aa	20.4 %
Candida albicans	cytochrome P450 similar to phenylacetate hydroxylase	Cytochrome P450 17A1	507 aa	510 aa	19.6 %
Dictyostelium discoideum	cytochrome P450 family protein	Cytochrome P450 17A1	507 aa	424 aa	24.3 %
Candida albicans	cytochrome P450 similar to phenylacetate hydroxylase	Cytochrome P450 17A1	507 aa	510 aa	19.6 %
Dictyostelium discoideum	cytochrome P450 family protein	Cytochrome P450 17A1	507 aa	502 aa	23.1 %
Dictyostelium discoideum	cytochrome P450 family protein	Cytochrome P450 17A1	507 aa	502 aa	25.5 %
Dictyostelium discoideum	cytochrome P450 family protein	Cytochrome P450 17A1	507 aa	485 aa	24.3 %
Dictyostelium discoideum	cytochrome P450 family protein	Cytochrome P450 17A1	507 aa	413 aa	24.5 %
Brugia malayi	Cytochrome P450 family protein	Cytochrome P450 17A1	507 aa	434 aa	25.6 %
Loa Loa (eye worm)	cytochrome P450 family protein	Cytochrome P450 17A1	507 aa	454 aa	25.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	heat shock protein, putative	0.0185	0.0678	1
Trypanosoma brucei	heat shock protein, putative	0.0185	0.0678	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0119	0.0271	0.3996
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0185	0.0678	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0119	0.0271	0.0264
Treponema pallidum	heat shock protein 90	0.0147	0.0446	0.5
Trypanosoma cruzi	heat shock protein 85, putative	0.0185	0.0678	0.2099
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0147	0.0446	0.5
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0119	0.0271	0.3929
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0119	0.0271	0.3929
Trypanosoma cruzi	Heat shock protein 83, putative	0.0185	0.0678	0.2099
Entamoeba histolytica	heat shock protein 90, putative	0.0185	0.0678	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0119	0.0271	0.3996
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0119	0.0271	0.3929
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0147	0.0446	0.5
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0119	0.0271	0.0264
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0147	0.0446	0.4316
Trypanosoma cruzi	heat shock protein 85, putative	0.0185	0.0678	0.2099
Trypanosoma brucei	heat shock protein, putative	0.0185	0.0678	1
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Trypanosoma brucei	heat shock protein, putative	0.0185	0.0678	1
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Toxoplasma gondii	heat shock protein HSP90	0.0185	0.0678	1
Plasmodium vivax	endoplasmin, putative	0.0185	0.0678	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trichomonas vaginalis	heat shock protein, putative	0.0114	0.0239	0.3522
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Trypanosoma cruzi	heat shock protein 90, putative	0.0185	0.0678	0.2099
Trypanosoma cruzi	heat shock protein 90, putative	0.0109	0.0212	0.0642
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0119	0.0271	0.3996
Plasmodium falciparum	endoplasmin, putative	0.0114	0.0239	0.345
Mycobacterium ulcerans	heat shock protein 90	0.0147	0.0446	0.5
Entamoeba histolytica	heat shock protein 90, putative	0.0185	0.0678	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0119	0.0271	0.3929
Plasmodium falciparum	heat shock protein 90	0.0185	0.0678	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0147	0.0446	0.1375
Echinococcus multilocularis	endoplasmin	0.0147	0.0446	0.0439
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0119	0.0271	0.3996
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Leishmania major	hypothetical protein, conserved	0.0619	0.334	1
Echinococcus granulosus	endoplasmin	0.0147	0.0446	0.0439
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trichomonas vaginalis	heat shock protein, putative	0.0147	0.0446	0.6587
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Echinococcus granulosus	heat shock protein 90	0.0185	0.0678	0.0671
Trypanosoma brucei	heat shock protein 90, putative	0.0185	0.0678	1
Schistosoma mansoni	heat shock protein	0.0185	0.0678	1
Loa Loa (eye worm)	endoplasmin	0.0185	0.0678	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0119	0.0271	0.0825
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trypanosoma brucei	heat shock protein, putative	0.0185	0.0678	1
Trypanosoma brucei	heat shock protein 84, putative	0.0076	0.0007	0.0109
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trypanosoma cruzi	heat shock protein 85, putative	0.0147	0.0446	0.1375
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trichomonas vaginalis	heat shock protein, putative	0.0076	0.0007	0.0109
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Brugia malayi	Endoplasmin precursor	0.0185	0.0678	1
Loa Loa (eye worm)	heat shock protein 90	0.0185	0.0678	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trypanosoma brucei	heat shock protein, putative	0.0185	0.0678	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Echinococcus multilocularis	heat shock protein 90	0.0147	0.0446	0.0439
Trypanosoma brucei	heat shock protein, putative	0.0185	0.0678	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Echinococcus multilocularis	heat shock protein 90	0.0185	0.0678	0.0671
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Toxoplasma gondii	heat shock protein 75, putative	0.0076	0.0007	0.0109
Toxoplasma gondii	Hsp90 domain-containing protein	0.0076	0.0007	0.0109
Trypanosoma brucei	heat shock protein, putative	0.0185	0.0678	1
Brugia malayi	heat shock protein 90	0.0185	0.0678	1
Schistosoma mansoni	heat shock protein	0.0185	0.0678	1
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0076	0.0007	0.5
Trichomonas vaginalis	heat shock protein, putative	0.0185	0.0678	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0119	0.0271	0.3996
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0119	0.0271	0.0825
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trypanosoma cruzi	heat shock protein 85, putative	0.0185	0.0678	0.2099
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0147	0.0446	0.1317
Trichomonas vaginalis	endoplasmin, putative	0.0114	0.0239	0.3522
Trypanosoma cruzi	hypothetical protein, conserved	0.0597	0.32	1
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Trichomonas vaginalis	heat shock protein, putative	0.0147	0.0446	0.6587
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0119	0.0271	0.3996
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0147	0.0446	0.0439
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0119	0.0271	0.0264
Giardia lamblia	Grp94/Hsp90	0.0147	0.0446	0.4316
Plasmodium vivax	heat shock protein 86, putative	0.0185	0.0678	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trypanosoma brucei	heat shock protein 90, putative	0.0185	0.0678	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0147	0.0446	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0119	0.0271	0.079
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0119	0.0271	0.3996
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0119	0.0271	0.3929
Trichomonas vaginalis	heat shock protein, putative	0.0147	0.0446	0.6587
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.1706	1	1
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Echinococcus granulosus	heat shock protein 90	0.0147	0.0446	0.0439
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0119	0.0271	0.079
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0119	0.0271	0.079
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0119	0.0271	0.3929
Echinococcus multilocularis	heat shock protein	0.0185	0.0678	0.0671
Loa Loa (eye worm)	phosphatidylinositol 3	0.0119	0.0271	0.3996
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0119	0.0271	0.0264
Leishmania major	heat shock protein 83-1	0.0185	0.0678	0.2011
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0119	0.0271	0.0825
Schistosoma mansoni	endoplasmin	0.0185	0.0678	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0119	0.0271	0.079
Schistosoma mansoni	endoplasmin	0.0185	0.0678	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0119	0.0271	0.079
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trypanosoma cruzi	target of rapamycin kinase 3	0.0119	0.0271	0.0825
Trypanosoma brucei	Heat shock protein 83, putative	0.0185	0.0678	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0119	0.0271	0.3996
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0119	0.0271	0.0825
Toxoplasma gondii	heat shock protein 90, putative	0.0185	0.0678	1
Echinococcus granulosus	heat shock protein	0.0185	0.0678	0.0671
Loa Loa (eye worm)	heat shock protein 75	0.0076	0.0007	0.0109

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.55 uM	Inhibition of rat testis 17,20 lyase component of P450-17alpha	ChEMBL.	16870430
IC50 (binding)	= 0.55 uM	Inhibition of rat testis 17,20 lyase component of P450-17alpha	ChEMBL.	16870430
IC50 (binding)	= 5.85 uM	Inhibition of rat testis 17alpha-hydroxylase component of P450-17alpha	ChEMBL.	16870430
IC50 (binding)	= 5.85 uM	Inhibition of rat testis 17alpha-hydroxylase component of P450-17alpha	ChEMBL.	16870430
Inhibition (binding)	= 71 %	Inhibition of rat testis 17alpha-hydroxylase component of P450-17alpha at 10 uM	ChEMBL.	16870430
Inhibition (binding)	= 71 %	Inhibition of rat testis 17alpha-hydroxylase component of P450-17alpha at 10 uM	ChEMBL.	16870430
Inhibition (binding)	= 80.85 %	Inhibition of rat testis 17,20 lyase component of P450-17alpha at 10 uM	ChEMBL.	16870430
Inhibition (binding)	= 80.85 %	Inhibition of rat testis 17,20 lyase component of P450-17alpha at 10 uM	ChEMBL.	16870430

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: CHEMBL213493
PubChem: 9991046

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 370851