Detailed information for compound 1429436

Basic information

Technical information
  • TDR Targets ID: 1429436
  • Name: ethyl 1-[[2-(morpholine-4-carbonyl)imidazo[3, 2-a]pyridin-3-yl]methyl]piperidine-3-carboxyl ate
  • MW: 400.471 | Formula: C21H28N4O4
  • H donors: 0 H acceptors: 3 LogP: 1.77 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1CCCN(C1)Cc1c(nc2n1cccc2)C(=O)N1CCOCC1
  • InChi: 1S/C21H28N4O4/c1-2-29-21(27)16-6-5-8-23(14-16)15-17-19(20(26)24-10-12-28-13-11-24)22-18-7-3-4-9-25(17)18/h3-4,7,9,16H,2,5-6,8,10-15H2,1H3
  • InChiKey: VOPIXASQOHLQQG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[[2-(morpholino-oxomethyl)-3-imidazo[3,2-a]pyridinyl]methyl]-3-piperidinecarboxylic acid ethyl ester
  • 1-[[2-(morpholine-4-carbonyl)imidazo[3,2-a]pyridin-3-yl]methyl]nipecotic acid ethyl ester
  • ethyl 1-[(2-morpholin-4-ylcarbonylimidazo[3,2-a]pyridin-3-yl)methyl]piperidine-3-carboxylate
  • MLS000733456
  • SMR000315375
  • ethyl 1-{[2-(morpholin-4-ylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}piperidine-3-carboxylate

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references
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
Brugia malayi 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
Trypanosoma congolense 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
Trichomonas vaginalis myo inositol monophosphatase, 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
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, 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
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma mansoni inositol monophosphatase 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
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative 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
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 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
Echinococcus granulosus inositol monophosphatase 1 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
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, 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
Neospora caninum hypothetical protein 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 brucei 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
Loa Loa (eye worm) inositol-1 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
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
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 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
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 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
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 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0042 0.0424 0.0424
Brugia malayi N-terminal motif family protein 0.0218 0.4326 0.4326
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0104 0.1811 1
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.033 0.1821
Echinococcus multilocularis geminin 0.0205 0.403 0.6022
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0034 0.0246 0.1359
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0178 0.0982
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0491 0.2711
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0046 0.053 0.2928
Loa Loa (eye worm) hypothetical protein 0.0465 0.98 0.98
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0491 0.0734
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0491 0.0734
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0042 0.0444 0.2454
Brugia malayi beta-lactamase family protein 0.0042 0.0424 0.0424
Echinococcus granulosus geminin 0.0205 0.403 0.6022
Mycobacterium leprae conserved hypothetical protein 0.0042 0.0424 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0046 0.053 0.2928
Entamoeba histolytica hypothetical protein 0.0025 0.005 0.1027
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0424 0.2341
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0067 0.0986 0.5443
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0424 0.2341
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0424 0.0634
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.005 0.0278
Echinococcus multilocularis importin subunit beta 1 0.003 0.0178 0.0266
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.0424 0.0073
Schistosoma mansoni hypothetical protein 0.0325 0.6692 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.0424 0.0634
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.4326 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.4326 0.4326
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 7 0.0105 0.182 0.272
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0491 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0178 0.0982
Plasmodium falciparum ubiquitin carboxyl-terminal hydrolase, putative 0.0034 0.0246 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0491 0.0734
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0178 0.3621
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 7 0.0105 0.182 0.272
Toxoplasma gondii ABC1 family protein 0.0042 0.0424 0.8636
Brugia malayi RNA, U transporter 1 0.0087 0.1419 0.1419
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.0424 0.0073
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.0424 0.0424
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.0424 0.0634
Loa Loa (eye worm) hypothetical protein 0.0042 0.0424 0.0424
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0105 0.182 0.182
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 7 0.0067 0.0995 0.1487
Loa Loa (eye worm) beta-lactamase 0.0042 0.0424 0.0424
Brugia malayi Inositol-1 0.0045 0.0491 0.0491
Loa Loa (eye worm) hypothetical protein 0.0062 0.0871 0.0871
Trichomonas vaginalis ubiquitin specific protease, putative 0.0042 0.0444 0.2454
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0424 0.2341
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.0424 0.0634
Trichomonas vaginalis importin beta-1, putative 0.0025 0.005 0.0278
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.0424 0.2341
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0491 0.2711
Schistosoma mansoni inositol monophosphatase 0.0045 0.0491 0.0734
Schistosoma mansoni hypothetical protein 0.0205 0.403 0.6022
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0424 0.2341
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.0424 0.0073
Loa Loa (eye worm) hypothetical protein 0.003 0.0178 0.0178
Loa Loa (eye worm) ubiquitin carboxyl-terminal hydrolase 0.0475 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.005 0.0278
Loa Loa (eye worm) hypothetical protein 0.0042 0.0424 0.0424
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0046 0.053 0.2928
Plasmodium vivax hypothetical protein, conserved 0.0042 0.0424 0.3957
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0266 0.5379 1
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.0424 0.2341
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0104 0.1811 1
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.0424 0.0073
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0104 0.1811 1
Mycobacterium leprae Probable lipase LipE 0.0042 0.0424 1
Plasmodium vivax importin-beta 2, putative 0.003 0.0178 0.1659
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0067 0.0986 0.5443
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.0424 0.0073
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0491 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0325 0.6692 0.6692
Plasmodium falciparum importin beta, putative 0.003 0.0178 0.7224
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0491 1
Echinococcus multilocularis snurportin 1 0.0325 0.6692 1
Toxoplasma gondii ubiquitin carboxyl-terminal hydrolase family 2 protein 0.0034 0.0246 0.5012
Brugia malayi beta-lactamase family protein 0.0042 0.0424 0.0424
Trypanosoma cruzi ubiquitin hydrolase, putative 0.0104 0.1811 1
Schistosoma mansoni hypothetical protein 0.0205 0.403 0.6022
Loa Loa (eye worm) inositol-1 0.0045 0.0491 0.0491
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0491 0.2711
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.0424 0.2341
Loa Loa (eye worm) hypothetical protein 0.0042 0.0424 0.0424
Plasmodium vivax ubiquitin carboxyl-terminal hydrolase family 2, putative 0.0071 0.1071 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 7 0.0067 0.0995 0.1487
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.005 0.0278
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.0424 0.0073
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0491 0.2711
Echinococcus granulosus importin subunit beta 1 0.003 0.0178 0.0266
Brugia malayi beta-lactamase 0.0042 0.0424 0.0424
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0491 0.2711
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.0424 0.0424
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.0424 0.0073
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0105 0.182 0.182
Echinococcus granulosus snurportin 1 0.0325 0.6692 1
Mycobacterium tuberculosis Conserved protein 0.0042 0.0424 0.0073
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0034 0.0246 0.1359
Schistosoma mansoni ubiquitin-specific peptidase 7 (C19 family) 0.0105 0.182 0.272
Loa Loa (eye worm) hypothetical protein 0.0042 0.0424 0.0424
Trichomonas vaginalis esterase, putative 0.0042 0.0424 0.2341
Leishmania major importin beta-1 subunit, putative 0.0025 0.005 0.0278
Loa Loa (eye worm) hypothetical protein 0.0042 0.0424 0.0424
Mycobacterium tuberculosis Conserved protein 0.0042 0.0424 0.0073
Mycobacterium tuberculosis Conserved protein 0.0042 0.0424 0.0073
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0491 0.2711
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.0424 0.2341
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0491 1
Schistosoma mansoni importin beta-1 0.003 0.0178 0.0266
Brugia malayi Importin beta-1 subunit 0.003 0.0178 0.0178
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0491 0.2711
Leishmania major hypothetical protein, conserved 0.0042 0.0424 0.2341
Trypanosoma cruzi ubiquitin hydrolase, putative 0.0042 0.0444 0.2454
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0067 0.0986 0.5443

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.5481 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) 7.9433 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) 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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