Detailed information for compound 1203873

Basic information

Technical information
  • TDR Targets ID: 1203873
  • Name: 2-[4-(3-methylcyclopentyl)piperazin-1-yl]pyri midine
  • MW: 246.351 | Formula: C14H22N4
  • H donors: 0 H acceptors: 2 LogP: 2.18 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCC(C1)N1CCN(CC1)c1ncccn1
  • InChi: 1S/C14H22N4/c1-12-3-4-13(11-12)17-7-9-18(10-8-17)14-15-5-2-6-16-14/h2,5-6,12-13H,3-4,7-11H2,1H3
  • InChiKey: GFQJDDJRQNGHJG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-(3-methylcyclopentyl)-1-piperazinyl]pyrimidine
  • MLS000532546
  • SMR000137485
  • Oprea1_419787

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus tar DNA binding protein 0.0065 0.36 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0124 0.7739 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.2126 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0111 0.6858 0.8862
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.2126 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0809 0.2855
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0163 0.0673
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0163 0.0453
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.2126 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2126 0.8769
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.36 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.2793 0.7758
Brugia malayi Inositol-1 0.0045 0.2126 0.5906
Brugia malayi RNA binding protein 0.0065 0.36 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0163 0.0673
Leishmania major hypothetical protein, conserved 0.0026 0.0809 0.3336
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.6858 0.8862
Trypanosoma brucei trypanothione reductase 0.0049 0.2425 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.6858 0.8862
Schistosoma mansoni tar DNA-binding protein 0.0065 0.36 0.36
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0163 0.0673
Trypanosoma brucei cytochrome P450, putative 0.0024 0.0641 0.2645
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.2425 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.2126 1
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0163 0.0211
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0163 0.0673
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0163 0.0673
Brugia malayi hypothetical protein 0.0026 0.0809 0.2247
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0163 0.0768
Schistosoma mansoni tar DNA-binding protein 0.0065 0.36 0.36
Loa Loa (eye worm) inositol-1 0.0045 0.2126 0.5906
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.1795 0.2319
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0024 0.0641 0.3016
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.1597 0.4436
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0641 0.2645
Schistosoma mansoni inositol monophosphatase 0.0045 0.2126 0.2126
Plasmodium falciparum glutathione reductase 0.0049 0.2425 1
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.2425 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.36 0.36
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.6858 0.8862
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.2425 0.3133
Loa Loa (eye worm) TAR-binding protein 0.0065 0.36 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.2126 0.2126
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0163 0.0673
Brugia malayi Cytochrome P450 family protein 0.0054 0.2793 0.7758
Loa Loa (eye worm) CYP4Cod1 0.0024 0.0641 0.1781
Echinococcus multilocularis tar DNA binding protein 0.0065 0.36 1
Brugia malayi glutathione reductase 0.0049 0.2425 0.6735
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.1795 0.2319
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0163 0.0673
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0809 0.2855
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0163 0.0453
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2126 0.8769
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0809 0.3336
Loa Loa (eye worm) hypothetical protein 0.0026 0.0809 0.2247
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0809 0.2855
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.6858 0.8862
Mycobacterium tuberculosis Probable oxidoreductase 0.0124 0.7739 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.36 1
Brugia malayi Cytochrome P450 family protein 0.0024 0.0641 0.1781
Plasmodium vivax glutathione reductase, putative 0.0049 0.2425 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0163 0.5
Loa Loa (eye worm) RNA binding protein 0.0065 0.36 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.36 0.36
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0163 0.0453
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.6858 0.8862
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.2126 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0124 0.7739 1
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.2425 0.6735
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0163 0.0673
Brugia malayi hypothetical protein 0.0017 0.0155 0.043
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0641 0.1781
Brugia malayi Cytochrome P450 family protein 0.0024 0.0641 0.1781
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0809 0.3336
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.2126 0.5906
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0809 0.3336
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0163 0.0768
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0163 0.0673
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0163 0.0673
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.2126 0.8769
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.1597 0.4436
Plasmodium falciparum thioredoxin reductase 0.0049 0.2425 1
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.1597 0.1597
Brugia malayi hypothetical protein 0.0037 0.1597 0.4436
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0809 0.3336
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0163 0.0673
Mycobacterium tuberculosis Probable reductase 0.0111 0.6858 0.8862
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0163 0.0673
Toxoplasma gondii thioredoxin reductase 0.0049 0.2425 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0163 0.0673
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.2126 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0163 0.0673
Schistosoma mansoni hypothetical protein 0.0037 0.1597 0.1597
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0163 0.0768
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0163 0.0163
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.2425 0.6735
Leishmania major trypanothione reductase 0.0049 0.2425 1
Treponema pallidum NADH oxidase 0.0017 0.0163 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0024 0.0641 0.1781
Brugia malayi TAR-binding protein 0.0065 0.36 1
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0163 0.0673
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0124 0.7739 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0163 0.0673
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0163 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0024 0.0641 0.2645
Schistosoma mansoni tar DNA-binding protein 0.0065 0.36 0.36
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2126 0.8769
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.2126 0.8769
Brugia malayi Thioredoxin reductase 0.0049 0.2425 0.6735
Loa Loa (eye worm) glutathione reductase 0.0049 0.2425 0.6735
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0163 0.0673
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.2126 0.5906
Leishmania major cytochrome p450-like protein 0.0024 0.0641 0.2645
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0163 0.0673
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0163 0.0673
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.2425 0.6735

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Bibliographic References

No literature references available for this target.

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