Detailed information for compound 1089021

Basic information

Technical information
  • TDR Targets ID: 1089021
  • Name: imidazo[1,2-a]pyridin-2-ylmethyl 2,3-dihydro- 1H-cyclopenta[b]quinoline-9-carboxylate
  • MW: 343.379 | Formula: C21H17N3O2
  • H donors: 0 H acceptors: 3 LogP: 4.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1c2CCCc2nc2c1cccc2)OCc1nc2n(c1)cccc2
  • InChi: 1S/C21H17N3O2/c25-21(26-13-14-12-24-11-4-3-10-19(24)22-14)20-15-6-1-2-8-17(15)23-18-9-5-7-16(18)20/h1-4,6,8,10-12H,5,7,9,13H2
  • InChiKey: IJYKXCKKSBTODR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid 2-imidazo[1,2-a]pyridinylmethyl ester
  • 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid imidazo[1,2-a]pyridin-2-ylmethyl ester
  • ZINC08008113

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis phosphofructokinase, putative 0.012 0.3034 0.3017
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0275 0.0185
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.1232 0.2362
Trichomonas vaginalis phosphofructokinase, putative 0.012 0.3034 0.3017
Mycobacterium tuberculosis Conserved protein 0.004 0.0275 0.0185
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0157 0.4327 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0154 0.4205 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2493 0.2476
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0112 0.2763 0.2746
Entamoeba histolytica phosphofructokinase, putative 0.012 0.3034 0.3017
Treponema pallidum fructose-bisphosphate aldolase 0.0322 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2493 0.2476
Brugia malayi beta-lactamase family protein 0.004 0.0275 0.0305
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0067 0.122 0.4369
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2493 0.2476
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.1213 0.4344
Brugia malayi Pre-SET motif family protein 0.0229 0.6807 0.8836
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0275 0.0185
Brugia malayi Inositol-1 0.0041 0.031 0.0351
Onchocerca volvulus 0.0261 0.7898 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 1 1
Trichomonas vaginalis phosphofructokinase, putative 0.012 0.3034 0.3017
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0275 0.0561
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0275 0.0561
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0103 0.2448 0.5821
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.012 0.3034 0.4306
Brugia malayi phosphofructokinase 0.012 0.3034 0.3908
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0322 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0229 0.6807 0.8836
Trypanosoma cruzi hypothetical protein, conserved 0.0234 0.6982 1
Mycobacterium leprae Probable lipase LipE 0.004 0.0275 0.0268
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2493 0.2476
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0103 0.2448 0.5779
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.031 0.0053
Loa Loa (eye worm) hypothetical protein 0.004 0.0275 0.0305
Echinococcus granulosus inositol monophosphatase 1 0.0041 0.031 0.0738
Giardia lamblia Kinase, PLK 0.0104 0.2493 0.2476
Loa Loa (eye worm) 6-phosphofructokinase 0.012 0.3034 0.3908
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0041 0.031 0.5
Loa Loa (eye worm) hypothetical protein 0.0092 0.2064 0.2641
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0275 0.0185
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0255 0.7698 1
Toxoplasma gondii ABC1 family protein 0.004 0.0275 0.092
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.1213 0.2814
Trichomonas vaginalis esterase, putative 0.004 0.0275 0.0252
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0103 0.2448 0.5779
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0112 0.2763 0.2746
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.1213 0.2315
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0939 0.1172
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0275 0.0328
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0092 0.2064 0.4858
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.2493 0.3527
Schistosoma mansoni inositol monophosphatase 0.0041 0.031 0.0646
Schistosoma mansoni inositol monophosphatase 0.0041 0.031 0.0646
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0067 0.1232 0.1555
Brugia malayi glucose-6-phosphate dehydrogenase 0.0103 0.2448 0.3142
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0275 0.0305
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0275 0.0252
Schistosoma mansoni 6-phosphofructokinase 0.012 0.3034 0.7187
Trichomonas vaginalis phosphofructokinase, putative 0.012 0.3034 0.3017
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0104 0.2493 0.5889
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.012 0.3034 0.3862
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0041 0.031 0.0087
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0801 0.0991
Entamoeba histolytica phosphofructokinase, putative 0.012 0.3034 0.3017
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0103 0.2448 0.5362
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0103 0.2448 0.3142
Brugia malayi 6-phosphofructokinase 0.012 0.3034 0.3908
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 1 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0322 1 1
Leishmania major ATP-dependent phosphofructokinase 0.012 0.3034 0.4113
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0104 0.2493 0.3308
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.2493 0.3527
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0104 0.2493 0.3202
Echinococcus multilocularis L aminoadipate semialdehyde 0.0092 0.2064 0.4858
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0112 0.2763 1
Echinococcus granulosus 6 phosphofructokinase 0.012 0.3034 0.7215
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0092 0.2064 0.2641
Mycobacterium leprae conserved hypothetical protein 0.004 0.0275 0.0268
Schistosoma mansoni hypothetical protein 0.0038 0.0202 0.0385
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.031 0.0288
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0154 0.4205 1
Onchocerca volvulus 0.004 0.0275 0.0297
Plasmodium vivax hypothetical protein, conserved 0.004 0.0275 0.092
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0801 0.0991
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 1 1
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0103 0.2448 1
Brugia malayi 6-phosphofructokinase 0.012 0.3034 0.3908
Onchocerca volvulus Serine\/threonine kinase homolog 0.0104 0.2493 0.3121
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0112 0.2763 1
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.2493 0.5889
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0112 0.2763 0.2746
Schistosoma mansoni kinase 0.0053 0.0731 0.1655
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.1232 0.2931
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0683 0.0662
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.031 0.0379
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0683 0.0662
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0154 0.4205 0.5437
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0067 0.1232 0.1461
Echinococcus multilocularis 6 phosphofructokinase 0.012 0.3034 0.7187
Loa Loa (eye worm) hypothetical protein 0.0055 0.0801 0.0991
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0275 0.0185
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0154 0.4205 1
Trichomonas vaginalis set domain proteins, putative 0.0261 0.7898 0.7893
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0234 0.6982 1
Schistosoma mansoni 6-phosphofructokinase 0.012 0.3034 0.7187
Entamoeba histolytica serine/threonine protein kinase, putative 0.0104 0.2493 0.2476
Mycobacterium ulcerans 6-phosphofructokinase 0.012 0.3034 0.6808
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0103 0.2448 0.3461
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.1213 0.2814
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.031 0.0053
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0275 0.0252
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2493 0.2476
Loa Loa (eye worm) beta-lactamase 0.004 0.0275 0.0305
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2493 0.2476
Mycobacterium tuberculosis Conserved protein 0.004 0.0275 0.0185
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0275 0.0252
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.012 0.3034 0.3017
Loa Loa (eye worm) hypothetical protein 0.004 0.0275 0.0305
Loa Loa (eye worm) hypothetical protein 0.004 0.0275 0.0305
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0275 0.0252
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0253 0.7638 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0275 0.0185
Brugia malayi beta-lactamase family protein 0.004 0.0275 0.0305
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0202 0.0209
Onchocerca volvulus 0.004 0.0275 0.0297
Brugia malayi follicle stimulating hormone receptor 0.0255 0.7698 1
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.012 0.3034 0.4113
Loa Loa (eye worm) 6-phosphofructokinase 0.012 0.3034 0.3908
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0041 0.031 0.0288
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0034 0.0081 0.0049
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0103 0.2448 0.3239
Brugia malayi serine/threonine-protein kinase plk-2 0.0104 0.2493 0.3202
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0157 0.4327 0.5586
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0157 0.4327 1
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0275 0.0185
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0154 0.4205 1
Plasmodium vivax SET domain protein, putative 0.0033 0.0042 0.0067
Trypanosoma brucei polo-like protein kinase 0.0104 0.2493 0.3308
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.1213 0.1399
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0275 0.0185
Loa Loa (eye worm) hypothetical protein 0.0038 0.0202 0.0209
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0036 0.0164 0.0036
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0275 0.0561
Loa Loa (eye worm) hypothetical protein 0.004 0.0275 0.0305
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0154 0.4205 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.1232 0.286
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0103 0.2448 0.3239
Onchocerca volvulus 0.0092 0.2064 0.2574
Brugia malayi beta-lactamase 0.004 0.0275 0.0305
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.012 0.3034 0.6894
Loa Loa (eye worm) hypothetical protein 0.004 0.0275 0.0305
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0154 0.4205 0.5437
Onchocerca volvulus 0.004 0.0275 0.0297
Echinococcus multilocularis inositol monophosphatase 1 0.0041 0.031 0.0646
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.1213 0.2315
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.1213 0.1435
Leishmania major hypothetical protein, conserved 0.0234 0.6982 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0042 0.0099
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0801 0.0991
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 1 1
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0067 0.1232 0.1427
Entamoeba histolytica phosphofructokinase, putative 0.012 0.3034 0.3017
Trypanosoma brucei hypothetical protein, conserved 0.0234 0.6982 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.1213 0.2885
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0041 0.031 0.1049
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0275 0.0305
Loa Loa (eye worm) phosphofructokinase 0.012 0.3034 0.3908
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0067 0.122 0.2332
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0067 0.1232 0.286
Trichomonas vaginalis inositol monophosphatase, putative 0.0041 0.031 0.0288
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.1213 0.2315
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0275 0.0328
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0154 0.4205 1
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0103 0.2448 0.243
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2493 0.2476
Mycobacterium tuberculosis Conserved protein 0.004 0.0275 0.0185
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0154 0.4205 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0275 0.0305
Echinococcus granulosus L aminoadipate semialdehyde 0.0092 0.2064 0.4909
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0041 0.031 0.0379
Loa Loa (eye worm) inositol-1 0.0041 0.031 0.0351
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0041 0.031 0.0288
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0104 0.2493 0.593
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0112 0.2763 0.2746
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0112 0.2763 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.1213 0.2814
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0275 0.0654
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.1232 0.2362
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0275 0.0252
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0042 0.0067

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 35.48 uM Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.01% Tween-20 ChEMBL. 19963390
IC50 (binding) = 50.12 uM Inhibition of human tyrosyl-DNA phosphodiesterase 1 after 30 mins by alpha high throughput screening assay in presence of 0.05% Tween-20 ChEMBL. 19963390

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

Bibliographic References

1 literature reference was collected for this gene.

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