Detailed information for compound 731450

Basic information

Technical information
  • TDR Targets ID: 731450
  • Name: N-(5-chloro-2-methoxyphenyl)-4-(1,3-dioxoisoi ndol-2-yl)butanamide
  • MW: 372.802 | Formula: C19H17ClN2O4
  • H donors: 1 H acceptors: 3 LogP: 2.66 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CCCN1C(=O)c2c(C1=O)cccc2)Cl
  • InChi: 1S/C19H17ClN2O4/c1-26-16-9-8-12(20)11-15(16)21-17(23)7-4-10-22-18(24)13-5-2-3-6-14(13)19(22)25/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,21,23)
  • InChiKey: IBUNWFAFPKJOGU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(5-chloro-2-methoxy-phenyl)-4-(1,3-dioxoisoindolin-2-yl)butanamide
  • N-(5-chloro-2-methoxyphenyl)-4-(1,3-dioxo-2-isoindolinyl)butanamide
  • N-(5-chloro-2-methoxy-phenyl)-4-(1,3-diketoisoindolin-2-yl)butyramide
  • N-(5-chloro-2-methoxy-phenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
  • CBKinase1_015281
  • ZINC04918527
  • CBKinase1_002881

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) hypothetical protein 0.0113 0.1237 0.4136
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0085 0.1066
Loa Loa (eye worm) hypothetical protein 0.0245 0.296 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0209 0.2626
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.012 0.1507
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0116 0.1461
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0209 0.2626
Schistosoma mansoni hypothetical protein 0.0052 0.0442 0.0442
Schistosoma mansoni chromobox protein 0.0072 0.07 0.07
Onchocerca volvulus 0.008 0.0795 1
Onchocerca volvulus 0.008 0.0795 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0171 0.0506
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0376 0.1055
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0508 0.6396 1
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0131 0.1643
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.008 0.0795 0.2632
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.024 0.3021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0209 0.2626
Echinococcus multilocularis GPCR, family 2 0.0052 0.0442 0.0442
Echinococcus multilocularis tumor protein p63 0.0384 0.4772 0.4772
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.1424 0.4772
Echinococcus granulosus survival motor neuron protein 1 0.0245 0.296 0.296
Echinococcus multilocularis tar DNA binding protein 0.0137 0.155 0.155
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.0795 1
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0022 0.0279
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0277 0.3373 0.3373
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0376 0.0376
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0037 0.0241 0.2948
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.0795 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0795 0.2632
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.0795 0.0795
Mycobacterium tuberculosis Probable lipase LipE 0.008 0.0795 0.1244
Mycobacterium ulcerans lipase LipD 0.008 0.0795 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0047 0.0365 0.0365
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0047 0.0365 0.4526
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0047 0.0365 0.4432
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0365 0.4587
Loa Loa (eye worm) phosphatidylinositol 3 0.0047 0.0365 0.1167
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0137 0.155 0.5202
Trichomonas vaginalis chromobox protein, putative 0.0072 0.07 0.88
Echinococcus multilocularis chromobox protein 1 0.0072 0.07 0.07
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0052 0.0442 0.0442
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0209 0.2626
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0022 0.0022
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0037 0.0241 0.2828
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0325 0.2473
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0022 0.5
Schistosoma mansoni tar DNA-binding protein 0.0137 0.155 0.155
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0022 1
Loa Loa (eye worm) RNA binding protein 0.0137 0.155 0.5202
Brugia malayi RNA binding protein 0.0137 0.155 0.456
Trypanosoma cruzi target of rapamycin kinase 3 0.0037 0.0241 0.2828
Schistosoma mansoni tar DNA-binding protein 0.0137 0.155 0.155
Entamoeba histolytica hypothetical protein 0.0277 0.3373 1
Brugia malayi Latrophilin receptor protein 2 0.0052 0.0442 0.1252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.024 0.3021
Schistosoma mansoni ap endonuclease 0.002 0.0022 0.0022
Mycobacterium leprae conserved hypothetical protein 0.008 0.0795 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0085 0.1066
Schistosoma mansoni hypothetical protein 0.0277 0.3373 0.3373
Loa Loa (eye worm) hypothetical protein 0.004 0.0285 0.0895
Mycobacterium ulcerans hypothetical protein 0.008 0.0795 1
Mycobacterium tuberculosis Conserved protein 0.008 0.0795 0.1244
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0022 0.0035
Toxoplasma gondii ABC1 family protein 0.008 0.0795 1
Brugia malayi hypothetical protein 0.0277 0.3373 1
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.008 0.0795 0.1244
Schistosoma mansoni ap endonuclease 0.002 0.0022 0.0022
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0047 0.0365 0.0365
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0047 0.0365 0.4432
Schistosoma mansoni survival motor neuron protein 0.005 0.0409 0.0409
Trichomonas vaginalis penicillin-binding protein, putative 0.008 0.0795 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0052 0.0442 0.0442
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0085 0.1066
Schistosoma mansoni hypothetical protein 0.0052 0.0442 0.0442
Giardia lamblia GTOR 0.0047 0.0365 1
Echinococcus multilocularis microtubule associated protein 2 0.0784 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0376 0.1204
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0022 0.0279
Loa Loa (eye worm) latrophilin receptor protein 2 0.0052 0.0442 0.1428
Brugia malayi MH2 domain containing protein 0.0128 0.1424 0.4183
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0166 0.1923 0.5671
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0047 0.0365 0.4432
Echinococcus granulosus tar DNA binding protein 0.0137 0.155 0.155
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.024 0.3021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.012 0.1507
Schistosoma mansoni hypothetical protein 0.0113 0.1237 0.1237
Onchocerca volvulus 0.005 0.0409 0.3821
Schistosoma mansoni hypothetical protein 0.0052 0.0442 0.0442
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0022 0.0022
Brugia malayi Calcitonin receptor-like protein seb-1 0.0166 0.1923 0.5671
Echinococcus granulosus GPCR family 2 0.0052 0.0442 0.0442
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0052 0.0442 0.1252
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0209 0.2626
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0325 0.409
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0022 0.0279
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0047 0.0365 0.1023
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0365 0.4587
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0376 0.0376
Loa Loa (eye worm) beta-lactamase 0.008 0.0795 0.2632
Mycobacterium tuberculosis Probable conserved lipoprotein 0.008 0.0795 0.1244
Loa Loa (eye worm) hypothetical protein 0.008 0.0795 0.2632
Mycobacterium tuberculosis Conserved protein 0.008 0.0795 0.1244
Brugia malayi beta-lactamase 0.008 0.0795 0.2307
Loa Loa (eye worm) TAR-binding protein 0.0137 0.155 0.5202
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0084 0.106
Onchocerca volvulus 0.0056 0.049 0.5114
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.012 0.1507
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0052 0.0442 0.0442
Schistosoma mansoni tar DNA-binding protein 0.0137 0.155 0.155
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0151 0.1902
Loa Loa (eye worm) hypothetical protein 0.0052 0.0442 0.1428
Loa Loa (eye worm) hypothetical protein 0.0166 0.1923 0.647
Trypanosoma cruzi hypothetical protein, conserved 0.008 0.0795 1
Schistosoma mansoni hypothetical protein 0.005 0.0409 0.0409
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0285 0.3585
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0277 0.3373 0.3373
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0022 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0047 0.0365 0.0365
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.008 0.0795 0.1244
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.1424 0.4772
Mycobacterium ulcerans esterase/lipase LipP 0.008 0.0795 1
Brugia malayi beta-lactamase family protein 0.008 0.0795 0.2307
Entamoeba histolytica hypothetical protein 0.0277 0.3373 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0085 0.1066
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0209 0.2626
Brugia malayi TAR-binding protein 0.0137 0.155 0.456
Brugia malayi RNA recognition motif domain containing protein 0.0137 0.155 0.456
Trichomonas vaginalis conserved hypothetical protein 0.004 0.0285 0.3585
Echinococcus multilocularis beta LACTamase domain containing family member 0.008 0.0795 0.0795
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0795 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0409 0.1156
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0084 0.106
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0376 0.0376
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0795 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0376 0.0376
Loa Loa (eye worm) hypothetical protein 0.008 0.0795 0.2632
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0047 0.0365 0.1023
Echinococcus multilocularis survival motor neuron protein 1 0.0245 0.296 0.296
Trichomonas vaginalis chromobox protein, putative 0.0072 0.07 0.88
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0116 0.1461
Brugia malayi hypothetical protein 0.0245 0.296 0.8766
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0209 0.2626
Leishmania major hypothetical protein, conserved 0.008 0.0795 1
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.07 0.2307
Mycobacterium tuberculosis Probable esterase LipL 0.008 0.0795 0.1244
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0166 0.1923 0.647
Entamoeba histolytica hypothetical protein 0.0277 0.3373 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.008 0.0795 1
Schistosoma mansoni microtubule-associated protein tau 0.0784 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.024 0.3021
Echinococcus multilocularis chromobox protein 1 0.0072 0.07 0.07
Trichomonas vaginalis esterase, putative 0.008 0.0795 1
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0325 0.409
Mycobacterium leprae Probable lipase LipE 0.008 0.0795 1
Brugia malayi latrophilin 2 splice variant baaae 0.0113 0.1237 0.3626
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0376 0.0376
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0047 0.0365 0.4432
Schistosoma mansoni tar DNA-binding protein 0.0137 0.155 0.155
Echinococcus granulosus chromobox protein 1 0.0072 0.07 0.07
Schistosoma mansoni cellular tumor antigen P53 0.0056 0.049 0.049
Plasmodium vivax hypothetical protein, conserved 0.008 0.0795 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.0285 0.183
Onchocerca volvulus 0.008 0.0795 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0164 0.2067
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0022 0.0168
Mycobacterium tuberculosis Probable hydrolase 0.008 0.0795 0.1244
Schistosoma mansoni hypothetical protein 0.0052 0.0442 0.0442
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0047 0.0365 0.1023
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0131 0.1643
Trypanosoma brucei hypothetical protein, conserved 0.008 0.0795 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.049 0.1593
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0376 0.0376
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0376 0.0376
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.024 0.3021
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0052 0.0442 0.0442
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.008 0.0795 0.2307
Toxoplasma gondii target of rapamycin (TOR), putative 0.0035 0.0209 0.2415
Loa Loa (eye worm) hypothetical protein 0.008 0.0795 0.2632
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0276 0.3468
Brugia malayi chromobox protein homolog 3 0.004 0.0285 0.0785
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0047 0.0365 0.4526
Schistosoma mansoni tar DNA-binding protein 0.0137 0.155 0.155
Brugia malayi Heterochromatin protein 1 0.0072 0.07 0.2023
Entamoeba histolytica hypothetical protein 0.0277 0.3373 1
Mycobacterium ulcerans beta-lactamase 0.008 0.0795 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0084 0.106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0365 0.4587
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0022 0.0044 0.0446
Echinococcus granulosus beta LACTamase domain containing family member 0.008 0.0795 0.0795
Loa Loa (eye worm) hypothetical protein 0.008 0.0795 0.2632
Schistosoma mansoni chromobox protein 0.0072 0.07 0.07
Mycobacterium tuberculosis Conserved protein 0.008 0.0795 0.1244
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.008 0.0795 0.0795
Trichomonas vaginalis D-aminoacylase, putative 0.008 0.0795 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0795 0.2632
Echinococcus granulosus chromobox protein 1 0.0072 0.07 0.07
Brugia malayi beta-lactamase family protein 0.008 0.0795 0.2307
Schistosoma mansoni transcription factor LCR-F1 0.0277 0.3373 0.3373
Echinococcus granulosus tumor protein p63 0.0384 0.4772 0.4772
Mycobacterium tuberculosis Probable lipase LipD 0.008 0.0795 0.1244

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.

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