TDR Targets

Basic information

Technical information

TDR Targets ID: 1350883
Name: 1-piperidin-1-ylpropan-2-yl 2,4-dichlorobenzo ate hydrochloride
MW: 352.684 | Formula: C15H20Cl3NO2
H donors: 0 H acceptors: 1 LogP: 5.15 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(OC(=O)c1ccc(cc1Cl)Cl)CN1CCCCC1.Cl
InChi: 1S/C15H19Cl2NO2.ClH/c1-11(10-18-7-3-2-4-8-18)20-15(19)13-6-5-12(16)9-14(13)17;/h5-6,9,11H,2-4,7-8,10H2,1H3;1H
InChiKey: YAGXVMCHLFJWDW-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

hydron; 1-piperidin-1-ylpropan-2-yl 2,4-dichlorobenzoate; chloride
[1-methyl-2-(1-piperidyl)ethyl] 2,4-dichlorobenzoate hydrochloride
hydron; [1-methyl-2-(1-piperidyl)ethyl] 2,4-dichlorobenzoate; chloride
2,4-dichlorobenzoic acid [1-methyl-2-(1-piperidyl)ethyl] ester; hydron; chloride
2,4-dichlorobenzoic acid [1-methyl-2-(1-piperidyl)ethyl] ester hydrochloride
2,4-dichlorobenzoic acid (1-methyl-2-piperidino-ethyl) ester; hydron; chloride
2,4-dichlorobenzoic acid (1-methyl-2-piperidino-ethyl) ester hydrochloride
SMR000037317
MLS000036208

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	hydroxyprostaglandin dehydrogenase 15-(NAD)	Starlite/ChEMBL	No 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
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxyprostaglandin dehydrogenase 15-(NAD)	266 aa	216 aa	22.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0344	1	1
Giardia lamblia	Cathepsin B precursor	0.0135	0.1453	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1
Loa Loa (eye worm)	fibroinase	0.0185	0.3483	0.2671
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0185	0.3483	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0185	0.3483	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0185	0.3483	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0185	0.3483	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0135	0.1453	0.4171
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0185	0.3483	1
Leishmania major	cathepsin L-like protease	0.0185	0.3483	1
Brugia malayi	Cathepsin L-like precursor	0.0185	0.3483	0.3483
Leishmania major	cathepsin L-like protease	0.0185	0.3483	1
Brugia malayi	Papain family cysteine protease containing protein	0.0185	0.3483	0.3483
Echinococcus granulosus	cathepsin b	0.0344	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0185	0.3483	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0185	0.3483	1
Onchocerca volvulus	Cathepsin L homolog	0.0185	0.3483	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0185	0.3483	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0185	0.3483	0.3483
Echinococcus multilocularis	cysteine protease	0.0185	0.3483	0.3483
Brugia malayi	Cathepsin L-like precursor	0.0185	0.3483	0.3483
Loa Loa (eye worm)	cathepsin B	0.0135	0.1453	0.0387
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0127	0.1108	0.1108
Echinococcus granulosus	cathepsin l1	0.0185	0.3483	0.3483
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0135	0.1453	0.1453
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1108	0.3182
Plasmodium vivax	vivapain-2	0.0185	0.3483	1
Brugia malayi	Cathepsin L-like precursor	0.0185	0.3483	0.3483
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0185	0.3483	1
Onchocerca volvulus		0.0185	0.3483	1
Onchocerca volvulus		0.0185	0.3483	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0344	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0344	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0185	0.3483	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0185	0.3483	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0185	0.3483	1
Onchocerca volvulus		0.0185	0.3483	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0344	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0127	0.1108	0.1108
Giardia lamblia	Cathepsin B precursor	0.0135	0.1453	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0185	0.3483	0.3483
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0185	0.3483	0.3483
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0185	0.3483	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0185	0.3483	0.2671
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1
Onchocerca volvulus		0.0185	0.3483	1
Loa Loa (eye worm)	hypothetical protein	0.0185	0.3483	0.2671
Leishmania major	cathepsin L-like protease	0.0185	0.3483	1
Echinococcus granulosus	cathepsin l1	0.0127	0.1108	0.1108
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0185	0.3483	1
Leishmania major	cathepsin L-like protease	0.0185	0.3483	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0185	0.3483	1
Entamoeba histolytica	cysteine proteinase, putative	0.0185	0.3483	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0185	0.3483	0.3483
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0185	0.3483	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1
Entamoeba histolytica	cysteine protease, putative	0.0185	0.3483	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0185	0.3483	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0185	0.3483	1
Brugia malayi	Cathepsin L-like precursor	0.0185	0.3483	0.3483
Onchocerca volvulus		0.0185	0.3483	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0185	0.3483	0.2671
Loa Loa (eye worm)	cysteine protease	0.0185	0.3483	0.2671
Plasmodium vivax	vivapain-2	0.0185	0.3483	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0344	1	1
Leishmania major	cathepsin L-like protease	0.0185	0.3483	1
Brugia malayi	Cathepsin L-like precursor	0.0127	0.1108	0.1108
Echinococcus multilocularis	cathepsin b	0.0344	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0127	0.1108	0.1108
Entamoeba histolytica	cysteine proteinase, putative	0.0127	0.1108	0.3182
Echinococcus multilocularis	cathepsin L cysteine protease	0.0185	0.3483	0.3483
Echinococcus multilocularis	cysteine protease	0.0185	0.3483	0.3483
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1
Leishmania major	cathepsin L-like protease	0.0185	0.3483	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0185	0.3483	1
Onchocerca volvulus		0.0185	0.3483	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0185	0.3483	0.3483
Giardia lamblia	Cathepsin B precursor	0.0135	0.1453	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0185	0.3483	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1
Brugia malayi	cathepsin L-like precursor	0.0127	0.1108	0.1108
Brugia malayi	Cathepsin L-like precursor	0.0127	0.1108	0.1108
Leishmania major	cathepsin L-like protease	0.0185	0.3483	1
Onchocerca volvulus	Cathepsin F homolog	0.0185	0.3483	1
Brugia malayi	Cathepsin L-like precursor	0.0185	0.3483	0.3483
Onchocerca volvulus	Cathepsin L homolog	0.0185	0.3483	1
Echinococcus multilocularis	cathepsin b	0.0344	1	1
Toxoplasma gondii	cathepsin CPL	0.0185	0.3483	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0185	0.3483	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0185	0.3483	0.3483
Leishmania major	cysteine peptidase A (CPA)	0.0185	0.3483	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0127	0.1108	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0185	0.3483	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1
Loa Loa (eye worm)	hypothetical protein	0.0344	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0185	0.3483	1
Loa Loa (eye worm)	ctsf protein	0.0185	0.3483	0.2671
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0185	0.3483	0.3483
Trypanosoma cruzi	cysteine peptidase, putative	0.0185	0.3483	0.3483
Schistosoma mansoni	cathepsin F (C01 family)	0.0185	0.3483	0.3483
Onchocerca volvulus		0.0185	0.3483	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0185	0.3483	0.3483
Echinococcus granulosus	cathepsin b	0.0344	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0135	0.1453	0.1453
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0185	0.3483	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0185	0.3483	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1
Leishmania major	cathepsin L-like protease	0.0185	0.3483	1
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0135	0.1453	0.4171
Brugia malayi	Cathepsin L-like precursor	0.0185	0.3483	0.3483
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0185	0.3483	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0185	0.3483	0.3483
Schistosoma mansoni	cathepsin F (C01 family)	0.0185	0.3483	0.3483
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0185	0.3483	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference

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: CHEMBL1445344

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1350883