Detailed information for compound 652050

Basic information

Technical information
  • TDR Targets ID: 652050
  • Name: N-(2-chlorophenyl)-6-(4-nitro-1,3-dioxoisoind ol-2-yl)hexanamide
  • MW: 415.827 | Formula: C20H18ClN3O5
  • H donors: 1 H acceptors: 5 LogP: 3.23 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1Cl)CCCCCN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
  • InChi: 1S/C20H18ClN3O5/c21-14-8-3-4-9-15(14)22-17(25)11-2-1-5-12-23-19(26)13-7-6-10-16(24(28)29)18(13)20(23)27/h3-4,6-10H,1-2,5,11-12H2,(H,22,25)
  • InChiKey: PIUKYSBDLJDZPV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-chlorophenyl)-6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanamide
  • N-(2-chlorophenyl)-6-(4-nitro-1,3-dioxo-2-isoindolinyl)hexanamide
  • N-(2-chlorophenyl)-6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanamide
  • N-(2-chlorophenyl)-6-(4-nitro-1,3-dioxo-isoindol-2-yl)hexanamide
  • ZINC01807640
  • BAS 01120475

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
Echinococcus granulosus kelch ECH associated protein 1 0.0192 0.3724 1
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0467 0.0054
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0445 0.1191
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0035 0.0445 0.0445
Schistosoma mansoni hypothetical protein 0.0184 0.3566 0.9547
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.0186 0.05
Brugia malayi beta-lactamase 0.0036 0.0467 0.0467
Echinococcus multilocularis kelch ECH associated protein 1 0.0192 0.3724 0.997
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0146 0.0146
Echinococcus multilocularis kelch ECH associated protein 1 0.0192 0.3724 0.997
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.4518 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0035 0.0445 0.9054
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0445 0.1191
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0078 0.1341 0.3591
Echinococcus granulosus zinc finger protein 0.002 0.0124 0.0333
Loa Loa (eye worm) hypothetical protein 0.0036 0.0467 0.0467
Mycobacterium ulcerans lipase LipD 0.0036 0.0467 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0445 0.1195
Schistosoma mansoni bromodomain containing protein 0.0063 0.1037 0.2775
Echinococcus multilocularis Kelch repeat type 1 0.0192 0.3736 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0467 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.1341 0.1341
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0078 0.1341 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0467 0.125
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.006 0.0962 0.2575
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0078 0.1341 0.1341
Schistosoma mansoni hypothetical protein 0.0192 0.3736 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0467 0.0054
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0467 1
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0113 0.0113
Trichomonas vaginalis conserved hypothetical protein 0.0078 0.1341 1
Schistosoma mansoni hypothetical protein 0.0187 0.3618 0.9686
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0035 0.0445 0.0445
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0071 0.0191
Brugia malayi hypothetical protein 0.0184 0.3566 0.3566
Schistosoma mansoni hypothetical protein 0.0021 0.0146 0.0391
Loa Loa (eye worm) hypothetical protein 0.0036 0.0467 0.0467
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0445 0.1195
Entamoeba histolytica hypothetical protein 0.0184 0.3566 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0467 0.0246
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0053 0.083 0.2222
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0035 0.0445 0.314
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0071 0.0191
Schistosoma mansoni hypothetical protein 0.0019 0.0113 0.0304
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0445 0.1191
Brugia malayi hypothetical protein 0.0019 0.0113 0.0113
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0445 0.1191
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0078 0.1341 1
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0113 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.0566 0.0566
Brugia malayi PHD-finger family protein 0.0025 0.0235 0.0235
Echinococcus granulosus aldehyde reductase 0.0025 0.0234 0.0627
Schistosoma mansoni lipoxygenase 0.0019 0.0113 0.0304
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0071 0.0192
Mycobacterium tuberculosis Conserved protein 0.0036 0.0467 0.0054
Onchocerca volvulus 0.0036 0.0467 1
Loa Loa (eye worm) oxidoreductase 0.0035 0.0445 0.0445
Mycobacterium tuberculosis Conserved protein 0.0036 0.0467 0.0054
Mycobacterium ulcerans hypothetical protein 0.0036 0.0467 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0467 0.0054
Echinococcus granulosus kelch ECH associated protein 1 like 0.0192 0.3724 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0445 0.1195
Echinococcus multilocularis aldo keto reductase 0.0035 0.0445 0.1191
Trypanosoma cruzi aldo/keto reductase, putative 0.0035 0.0445 0.314
Brugia malayi Doublecortin family protein 0.0019 0.0113 0.0113
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0445 0.1195
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0445 0.1195
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0492 1 1
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0467 0.0054
Brugia malayi Bromodomain containing protein 0.0075 0.1281 0.1281
Entamoeba histolytica hypothetical protein 0.0184 0.3566 1
Entamoeba histolytica hypothetical protein 0.0184 0.3566 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0035 0.0445 0.0445
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0078 0.1341 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0467 0.0467
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0466 0.125
Schistosoma mansoni zinc finger protein 0.002 0.0124 0.0332
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.006 0.0962 0.2583
Entamoeba histolytica hypothetical protein 0.0184 0.3566 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0035 0.0445 0.314
Loa Loa (eye worm) hypothetical protein 0.0036 0.0467 0.0467
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0053 0.083 0.2229
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0078 0.1341 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.1192 0.1192
Mycobacterium tuberculosis Conserved protein 0.0036 0.0467 0.0054
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0084 0.0084
Echinococcus granulosus RUN 0.0019 0.0113 0.0305
Brugia malayi beta-lactamase family protein 0.0036 0.0467 0.0467
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0445 0.1191
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0467 1
Echinococcus granulosus ubiquitin specific protease 41 0.0078 0.1341 0.3601
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0445 0.1191
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0113 0.0304
Loa Loa (eye worm) hypothetical protein 0.0035 0.0445 0.0445
Mycobacterium leprae Probable lipase LipE 0.0036 0.0467 1
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0078 0.1341 0.3601
Onchocerca volvulus 0.0035 0.0445 0.9527
Leishmania major aldo-keto reductase-like protein 0.0035 0.0445 0.314
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0467 0.3309
Leishmania major hypothetical protein, conserved 0.0036 0.0467 0.3309
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0071 0.0191
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0445 0.1195
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0445 0.1191
Loa Loa (eye worm) hypothetical protein 0.0043 0.0606 0.0606
Schistosoma mansoni transcription factor LCR-F1 0.0184 0.3566 0.9547
Trypanosoma cruzi aldo-keto reductase 0.0035 0.0445 0.314
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0071 0.0191
Brugia malayi hypothetical protein 0.0019 0.0113 0.0113
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0078 0.1341 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0113 0.0305
Onchocerca volvulus 0.0035 0.0445 0.9527
Schistosoma mansoni aldo-keto reductase 0.0035 0.0445 0.1191
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0467 0.0467
Loa Loa (eye worm) hypothetical protein 0.0036 0.0467 0.0467
Echinococcus multilocularis RUN 0.0019 0.0113 0.0304
Schistosoma mansoni pol-related 0.0035 0.0445 0.1191
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0445 0.1191
Loa Loa (eye worm) hypothetical protein 0.0036 0.0467 0.0467
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0467 0.3309
Loa Loa (eye worm) oxidoreductase 0.0035 0.0445 0.0445
Schistosoma mansoni polycystin 1-related 0.0019 0.0113 0.0304
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0445 0.1195
Loa Loa (eye worm) beta-lactamase 0.0036 0.0467 0.0467
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0078 0.1341 0.3591
Echinococcus multilocularis aldehyde reductase 0.0025 0.0234 0.0626
Onchocerca volvulus 0.0019 0.0113 0.2429
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0467 0.125
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.0186 0.0498
Echinococcus granulosus aldo keto reductase 0.0035 0.0445 0.1195
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0467 0.0054
Onchocerca volvulus 0.0035 0.0445 0.9527
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0078 0.1341 1
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0467 0.3309
Loa Loa (eye worm) hypothetical protein 0.0019 0.0113 0.0113
Trypanosoma brucei aldo-keto reductase, putative 0.0035 0.0445 0.314
Echinococcus granulosus hypothetical protein 0.0035 0.0445 0.1195
Loa Loa (eye worm) oxidoreductase 0.0035 0.0445 0.0445
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0078 0.1341 1
Echinococcus granulosus aldo keto reductase 0.0035 0.0445 0.1195
Brugia malayi beta-lactamase family protein 0.0036 0.0467 0.0467
Schistosoma mansoni zinc finger protein 0.0015 0.0035 0.0093
Mycobacterium ulcerans beta-lactamase 0.0036 0.0467 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0467 0.0246
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0071 0.0192
Schistosoma mansoni lipoxygenase 0.0053 0.083 0.2222
Trichomonas vaginalis esterase, putative 0.0036 0.0467 0.0246
Echinococcus granulosus kelch ECH associated protein 1 like 0.0192 0.3724 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0184 0.3566 0.9547
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0071 0.0191
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0467 0.0054
Loa Loa (eye worm) hypothetical protein 0.0038 0.0517 0.0517
Schistosoma mansoni rab6-interacting 0.0019 0.0113 0.0304
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0035 0.0445 0.0445
Echinococcus multilocularis aldo keto reductase 0.0035 0.0445 0.1191
Echinococcus multilocularis geminin 0.0187 0.3618 0.9686
Schistosoma mansoni rab6-interacting 0.0019 0.0113 0.0304
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0113 0.0304
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0078 0.1341 0.3601
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0466 0.1246
Echinococcus multilocularis zinc finger protein 0.002 0.0124 0.0332
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0467 0.125
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0445 0.1191
Loa Loa (eye worm) oxidoreductase 0.0035 0.0445 0.0445
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0078 0.1341 0.3591
Schistosoma mansoni aldo-keto reductase 0.0035 0.0445 0.1191
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0445 0.1191
Onchocerca volvulus 0.0035 0.0445 0.9527
Trypanosoma brucei prostaglandin f synthase 0.0035 0.0445 0.314
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0078 0.1341 0.2871
Onchocerca volvulus 0.0036 0.0467 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0186 0.0498
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0467 1
Brugia malayi Bromodomain containing protein 0.0038 0.0515 0.0515
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0113 0.0305
Loa Loa (eye worm) hypothetical protein 0.0017 0.0071 0.0071
Echinococcus multilocularis aldo keto reductase 0.0035 0.0445 0.1191
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0445 0.1195
Onchocerca volvulus 0.0035 0.0445 0.9527
Leishmania major prostaglandin f synthase, putative 0.0035 0.0445 0.314
Echinococcus granulosus geminin 0.0187 0.3618 0.9715
Loa Loa (eye worm) oxidoreductase 0.0035 0.0445 0.0445
Onchocerca volvulus 0.0036 0.0467 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0467 0.1254
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0113 0.0304
Schistosoma mansoni hypothetical protein 0.0015 0.0035 0.0093
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0113 0.0305
Echinococcus granulosus aldo keto reductase 0.0035 0.0445 0.1195
Loa Loa (eye worm) hypothetical protein 0.0019 0.0113 0.0113
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0035 0.0445 0.1191
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0035 0.0445 0.1195
Schistosoma mansoni loxhd1 0.0019 0.0113 0.0304
Toxoplasma gondii ABC1 family protein 0.0036 0.0467 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0467 0.0246
Schistosoma mansoni hypothetical protein 0.0187 0.3618 0.9686
Onchocerca volvulus 0.0019 0.0113 0.2429
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0467 0.0467
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0071 0.0191
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0467 0.0246
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0078 0.1341 0.3591
Echinococcus multilocularis aldo keto reductase 0.0035 0.0445 0.1191
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0467 0.0054
Onchocerca volvulus 0.0035 0.0445 0.9527
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0467 0.0246
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0184 0.3566 0.9576
Echinococcus multilocularis ubiquitin specific protease 41 0.0078 0.1341 0.3591

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.