Detailed information for compound 630638

Basic information

Technical information
  • TDR Targets ID: 630638
  • Name: 2-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)quino line-4-carboxamide
  • MW: 366.841 | Formula: C21H19ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 4.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)NCC1CCCO1
  • InChi: 1S/C21H19ClN2O2/c22-15-9-7-14(8-10-15)20-12-18(17-5-1-2-6-19(17)24-20)21(25)23-13-16-4-3-11-26-16/h1-2,5-10,12,16H,3-4,11,13H2,(H,23,25)
  • InChiKey: HJTYSXRVOXELHU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-chlorophenyl)-N-(tetrahydrofuran-2-ylmethyl)quinoline-4-carboxamide
  • 2-(4-chlorophenyl)-N-(2-tetrahydrofuranylmethyl)-4-quinolinecarboxamide
  • 2-(4-chlorophenyl)-N-(tetrahydrofurfuryl)cinchoninamide
  • Oprea1_793448
  • BIM-0049139.P001
  • CBMicro_049141
  • T5270551

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
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.3364 0.3364
Schistosoma mansoni caspase-3 (C14 family) 0.0098 0.3051 0.5465
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0013 0.0042 0.0076
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0517 0.0477
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0419 0.1138
Schistosoma mansoni hypothetical protein 0.0073 0.2171 0.3888
Echinococcus multilocularis caspase 3 0.0071 0.2127 0.3809
Trypanosoma cruzi metacaspase, putative 0.0026 0.0517 0.1437
Plasmodium falciparum metacaspase-like protein 0.0026 0.0517 0.1305
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0786 0.0786
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0026 0.0517 0.1305
Loa Loa (eye worm) hypothetical protein 0.0017 0.021 0.021
Loa Loa (eye worm) transcription factor SMAD2 0.0136 0.4404 0.4404
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0419 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.6421 0.6406
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0013 0.0042 0.0042
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0013 0.0042 0.0076
Loa Loa (eye worm) hypothetical protein 0.0017 0.021 0.021
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0419 0.1138
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0268 0.9095 0.9095
Trypanosoma brucei metacaspase 0.0026 0.0517 0.1437
Schistosoma mansoni caspase-7 (C14 family) 0.0098 0.3051 0.5465
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0106 0.3351 0.6001
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.6421 0.6406
Loa Loa (eye worm) hypothetical protein 0.0013 0.0042 0.0042
Echinococcus multilocularis caspase 2 0.0026 0.0517 0.0927
Loa Loa (eye worm) hypothetical protein 0.0017 0.021 0.021
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0106 0.3351 1
Loa Loa (eye worm) Ulp1 protease 0.0013 0.0042 0.0042
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0069 0.2047 0.5849
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0145 0.4739 0.8488
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0115 0.3685 0.3658
Trichomonas vaginalis glucosylceramidase, putative 0.0294 1 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0419 0.0665
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0419 0.0665
Brugia malayi MH2 domain containing protein 0.0136 0.4404 0.4404
Trichomonas vaginalis glucosylceramidase, putative 0.0294 1 1
Echinococcus multilocularis caspase 0.0098 0.3051 0.5465
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0517 0.0477
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0786 0.1408
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0517 0.0477
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0106 0.3351 0.6001
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0419 0.3368
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0517 0.0477
Trichomonas vaginalis glucosylceramidase, putative 0.0203 0.6789 0.6775
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0013 0.0042 0.0042
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.3364 0.3364
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0517 0.0477
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0517 0.0477
Loa Loa (eye worm) hypothetical protein 0.0073 0.2171 0.2171
Echinococcus granulosus expressed conserved protein 0.0132 0.429 0.7683
Plasmodium falciparum acyl-CoA synthetase 0.0017 0.021 0.046
Trypanosoma cruzi metacaspase, putative 0.0026 0.0517 0.1437
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.3364 0.3364
Trichomonas vaginalis glucosylceramidase, putative 0.0294 1 1
Echinococcus granulosus sentrin specific protease 1 0.0013 0.0042 0.0076
Onchocerca volvulus 0.0023 0.0419 0.0652
Echinococcus granulosus caspase 8 0.0026 0.0517 0.0927
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0013 0.0042 0.0076
Trichomonas vaginalis glucosylceramidase, putative 0.0294 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.0419 0.0419
Echinococcus multilocularis geminin 0.0169 0.5583 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0419 0.0419
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0115 0.3685 0.3658
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0419 0.0665
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0517 0.0477
Brugia malayi glucose-6-phosphate dehydrogenase 0.0106 0.3351 0.3351
Loa Loa (eye worm) hypothetical protein 0.0013 0.0042 0.0042
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.021 0.0468
Echinococcus granulosus caspase 3 0.0071 0.2127 0.3809
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0786 0.1408
Trypanosoma cruzi metacaspase, putative 0.0026 0.0517 0.1437
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.6421 0.6406
Echinococcus multilocularis GPCR, family 2 0.0034 0.0786 0.1408
Schistosoma mansoni hypothetical protein 0.0169 0.5583 1
Trypanosoma cruzi metacaspase 5, putative 0.0026 0.0517 0.1437
Schistosoma mansoni hypothetical protein 0.0034 0.0786 0.1408
Echinococcus granulosus GPCR family 2 0.0034 0.0786 0.1408
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0052 0.1436 0.1436
Onchocerca volvulus Cell death protein 3 homolog 0.0026 0.0517 0.0806
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0069 0.2047 0.5503
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0419 0.0802
Loa Loa (eye worm) hypothetical protein 0.028 0.9513 0.9513
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1436 0.2572
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0419 0.1138
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.6421 0.6406
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0419 0.0665
Brugia malayi follicle stimulating hormone receptor 0.0268 0.9095 0.9095
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.6421 0.6406
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0517 0.0477
Echinococcus granulosus geminin 0.0169 0.5583 1
Trichomonas vaginalis glucosylceramidase, putative 0.0294 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0419 0.3368
Schistosoma mansoni hypothetical protein 0.0169 0.5583 1
Plasmodium vivax hypothetical protein, conserved 0.0026 0.0517 0.1305
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0106 0.3351 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.2171 0.2171
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0026 0.0517 0.1305
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0106 0.3351 1
Schistosoma mansoni hypothetical protein 0.0034 0.0786 0.1408
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0115 0.3685 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0106 0.3351 0.3351
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.6421 0.6406
Echinococcus granulosus caspase 2 0.0026 0.0517 0.0927
Brugia malayi Cell death protein 3 precursor 0.0026 0.0517 0.0517
Plasmodium vivax acyl-CoA synthetase, putative 0.0017 0.021 0.046
Loa Loa (eye worm) hypothetical protein 0.0026 0.0517 0.0517
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0052 0.1436 0.1436
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0294 1 1
Echinococcus multilocularis sentrin specific protease 7 0.0145 0.4739 0.8488
Schistosoma mansoni hypothetical protein 0.0034 0.0786 0.1408
Echinococcus granulosus sentrin specific protease 8 0.0013 0.0042 0.0076
Loa Loa (eye worm) Ulp1 protease 0.0013 0.0042 0.0042
Onchocerca volvulus 0.0013 0.0042 0.0066
Loa Loa (eye worm) hypothetical protein 0.0013 0.0042 0.0042
Loa Loa (eye worm) hypothetical protein 0.0023 0.0419 0.0419
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0013 0.0042 0.0042
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0517 0.0477
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0035 0.0838 0.2405
Loa Loa (eye worm) hypothetical protein 0.0023 0.0419 0.0419
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0026 0.0517 0.1305
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0786 0.0786
Loa Loa (eye worm) MH2 domain-containing protein 0.0136 0.4404 0.4404
Plasmodium vivax metacaspase 1, putative 0.0026 0.0517 0.1305
Echinococcus multilocularis sentrin specific protease 8 0.0013 0.0042 0.0076
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0106 0.3351 1
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0419 0.0419
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.021 0.0507
Trypanosoma brucei metacaspase 5, putative 0.0026 0.0517 0.1437
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0517 0.0477
Trichomonas vaginalis glucosylceramidase, putative 0.0203 0.6789 0.6775
Trichomonas vaginalis glucosylceramidase, putative 0.0294 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1436 0.2572
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0145 0.4739 1
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0115 0.3685 1
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0034 0.0802 0.2296
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0517 0.0477
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0115 0.3685 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0517 0.0517
Loa Loa (eye worm) hypothetical protein 0.0034 0.0786 0.0786
Plasmodium falciparum metacaspase 1 0.0026 0.0517 0.1305
Schistosoma mansoni hypothetical protein 0.0034 0.0786 0.1408
Trypanosoma brucei metacaspase MCA2 0.0026 0.0517 0.1437
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0419 0.0802
Echinococcus granulosus sentrin specific protease 7 0.0145 0.4739 0.8488
Loa Loa (eye worm) hypothetical protein 0.0017 0.021 0.021
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0419 0.0419
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0106 0.3351 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0517 0.0477
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1436 0.2572
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0419 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0026 0.0517 0.0477
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0517 0.0477
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0115 0.3685 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0026 0.0517 0.0517
Trypanosoma cruzi metacaspase 5, putative 0.0026 0.0517 0.1437
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0098 0.3051 0.5465
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0106 0.3351 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0026 0.0517 0.0477
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1436 0.2572
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0786 0.1408
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0052 0.1436 0.2572
Trichomonas vaginalis glucosylceramidase, putative 0.0193 0.6421 0.6406
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0037 0.0896 1
Trypanosoma cruzi metacaspase, putative 0.0026 0.0517 0.1437
Trypanosoma brucei metacaspase MCA3 0.0026 0.0517 0.1437
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0106 0.3351 0.6001
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0052 0.1436 0.2572
Loa Loa (eye worm) hypothetical protein 0.0017 0.021 0.021
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0419 0.0665
Echinococcus granulosus caspase 0.0098 0.3051 0.5465
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0419 0.0665
Leishmania major metacaspase, putative 0.0026 0.0517 0.1437
Echinococcus multilocularis expressed conserved protein 0.0132 0.429 0.7683
Trypanosoma brucei Metacaspase-4 0.0026 0.0517 0.1437
Echinococcus multilocularis caspase 8 0.0026 0.0517 0.0927
Onchocerca volvulus Glucosylceramidase homolog 0.0193 0.6421 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0786 0.0786
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0115 0.3685 0.3658
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0026 0.0517 0.0927
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0098 0.3051 0.5465
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0786 0.1408
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0419 0.0802
Brugia malayi photoreceptor-specific nuclear receptor 0.028 0.9513 0.9513
Mycobacterium ulcerans hypothetical protein 0.0023 0.0419 0.0665
Schistosoma mansoni caspase-7 (C14 family) 0.0026 0.0517 0.0927
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0013 0.0042 0.0042
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0419 0.0665
Loa Loa (eye worm) hypothetical protein 0.0106 0.3364 0.3364
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0052 0.1436 0.2572
Echinococcus multilocularis sentrin specific protease 1 0.0013 0.0042 0.0076

Activities

No activities found for this compound.

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

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.