Detailed information for compound 427269

Basic information

Technical information
  • TDR Targets ID: 427269
  • Name: (3E)-3-[(1-benzyl-2-chloro-5-methoxy-6-methyl indol-3-yl)methylidene]-1H-benzo[g]indol-2-on e
  • MW: 478.969 | Formula: C30H23ClN2O2
  • H donors: 1 H acceptors: 1 LogP: 7.12 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(C=C3C(=O)Nc4c3ccc3c4cccc3)c(n(c2cc1C)Cc1ccccc1)Cl
  • InChi: 1S/C30H23ClN2O2/c1-18-14-26-23(16-27(18)35-2)24(29(31)33(26)17-19-8-4-3-5-9-19)15-25-22-13-12-20-10-6-7-11-21(20)28(22)32-30(25)34/h3-16H,17H2,1-2H3,(H,32,34)/b25-15+
  • InChiKey: ANRDSSUOHJPZAR-MFKUBSTISA-N  

Network

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Synonyms

  • (3E)-3-[(1-benzyl-2-chloro-5-methoxy-6-methyl-indol-3-yl)methylene]-1H-benzo[g]indol-2-one
  • (3E)-3-[(1-benzyl-2-chloro-5-methoxy-6-methyl-3-indolyl)methylene]-1H-benzo[g]indol-2-one
  • (3E)-3-[[2-chloro-5-methoxy-6-methyl-1-(phenylmethyl)indol-3-yl]methylidene]-1H-benzo[g]indol-2-one
  • (3E)-3-[[2-chloro-5-methoxy-6-methyl-1-(phenylmethyl)indol-3-yl]methylene]-1H-benzo[g]indol-2-one
  • (3E)-3-[[2-chloro-5-methoxy-6-methyl-1-(phenylmethyl)-3-indolyl]methylene]-1H-benzo[g]indol-2-one
  • (3E)-3-[[1-(benzyl)-2-chloro-5-methoxy-6-methyl-indol-3-yl]methylene]-1H-benzo[g]indol-2-one
  • NSC734204

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 protein kinase c epsilon type 0.0511 0.6892 0.6892
Loa Loa (eye worm) RasGEF domain-containing protein 0.0117 0.0414 0.0512
Schistosoma mansoni chromatin regulatory protein sir2 0.0228 0.223 0.223
Loa Loa (eye worm) hypothetical protein 0.0136 0.0717 0.0887
Entamoeba histolytica protein kinase, putative 0.0102 0.0154 0.0689
Loa Loa (eye worm) hypothetical protein 0.0117 0.0414 0.0512
Echinococcus granulosus cyclin B 0.0105 0.0201 0.0201
Brugia malayi Cyclin, N-terminal domain containing protein 0.0105 0.0201 0.0275
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0395 0.4979 0.4979
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0167 0.1232 0.1232
Trichomonas vaginalis AGC family protein kinase 0.0169 0.1261 0.5656
Brugia malayi Hr1 repeat family protein 0.0169 0.1261 0.1723
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0228 0.223 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0105 0.0201 0.0902
Echinococcus multilocularis Diacylglycerol kinase theta 0.0117 0.0414 0.0414
Echinococcus multilocularis chromatin regulatory protein sir2 0.0228 0.223 0.223
Leishmania major silent information regulator 2, putative 0.0228 0.223 1
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0169 0.1261 0.1261
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0124 0.0519 0.0519
Trypanosoma brucei protein kinase, putative 0.0102 0.0154 0.0689
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0117 0.0414 0.0414
Entamoeba histolytica protein kinase, putative 0.0169 0.1261 0.5656
Trichomonas vaginalis AGC family protein kinase 0.0169 0.1261 0.5656
Schistosoma mansoni protein kinase 0.0382 0.4771 0.4771
Brugia malayi Cyclin, N-terminal domain containing protein 0.0167 0.1232 0.1682
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.0519 0.0519
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0169 0.1261 0.1261
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0228 0.223 1
Brugia malayi transcriptional regulator, Sir2 family protein 0.0228 0.223 0.3045
Trichomonas vaginalis AGC family protein kinase 0.0169 0.1261 0.5656
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0117 0.0414 0.0414
Trichomonas vaginalis cyclin B, putative 0.0105 0.0201 0.0902
Entamoeba histolytica hypothetical protein 0.0117 0.0414 0.1856
Brugia malayi protein kinase C II. 0.0511 0.6892 0.9412
Entamoeba histolytica cyclin, putative 0.0105 0.0201 0.0902
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0331 0.3926 0.5362
Schistosoma mansoni rac gtpase activating protein 0.0117 0.0414 0.0414
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0117 0.0414 0.0512
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0169 0.1261 0.156
Echinococcus granulosus NDR protein kinase 0.0169 0.1261 0.1261
Trichomonas vaginalis AGC family protein kinase 0.0169 0.1261 0.5656
Loa Loa (eye worm) hypothetical protein 0.0117 0.0414 0.0512
Schistosoma mansoni cyclin B 0.0105 0.0201 0.0201
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0169 0.1261 0.1261
Loa Loa (eye worm) transcriptional regulator 0.0228 0.223 0.2758
Loa Loa (eye worm) hypothetical protein 0.0117 0.0414 0.0512
Loa Loa (eye worm) hypothetical protein 0.0395 0.4979 0.6159
Echinococcus multilocularis serine:threonine protein kinase N2 0.0375 0.4653 0.4653
Brugia malayi Ras association domain family 1 isoform A 0.0117 0.0414 0.0565
Entamoeba histolytica protein kinase, putative 0.0169 0.1261 0.5656
Schistosoma mansoni serine/threonine protein kinase 0.0117 0.0414 0.0414
Trichomonas vaginalis AGC family protein kinase 0.0169 0.1261 0.5656
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0169 0.1261 0.156
Loa Loa (eye worm) hypothetical protein 0.0583 0.8084 1
Echinococcus granulosus raf serine:threonine protein kinase 0.0117 0.0414 0.0414
Giardia lamblia G2/mitotic-specific cyclin B 0.0105 0.0201 0.0902
Schistosoma mansoni hypothetical protein 0.0117 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0532 0.7237 0.8952
Trypanosoma cruzi CYC2-like cyclin, putative 0.0105 0.0201 0.0902
Trichomonas vaginalis cyclins, putative 0.0105 0.0201 0.0902
Echinococcus granulosus RNA directed DNA polymerase 0.0395 0.4979 0.4979
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0167 0.1232 0.1232
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0169 0.1261 0.156
Schistosoma mansoni protein kinase 0.0382 0.4771 0.4771
Trichomonas vaginalis AGC family protein kinase 0.0169 0.1261 0.5656
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0102 0.0154 0.0154
Brugia malayi Protein kinase domain containing protein 0.0124 0.0519 0.0708
Brugia malayi Pleckstrin Homology Domain 0.0117 0.0414 0.0565
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0382 0.4771 0.4771
Schistosoma mansoni serine/threonine protein kinase 0.0169 0.1261 0.1261
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0228 0.223 1
Brugia malayi Protein kinase c protein 2 0.0537 0.7322 1
Onchocerca volvulus 0.0117 0.0414 0.0506
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0228 0.223 1
Trichomonas vaginalis cyclin A, putative 0.0105 0.0201 0.0902
Loa Loa (eye worm) hypothetical protein 0.0117 0.0414 0.0512
Schistosoma mansoni protein kinase C mu 0.0117 0.0414 0.0414
Brugia malayi protein kinase C3,putative 0.0346 0.4172 0.5698
Echinococcus granulosus protein kinase c iota type 0.0508 0.685 0.685
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.0519 0.0519
Onchocerca volvulus 0.0414 0.5302 1
Schistosoma mansoni cyclin B3 0.0167 0.1232 0.1232
Loa Loa (eye worm) AGC/AKT protein kinase 0.0169 0.1261 0.156
Schistosoma mansoni chromatin regulatory protein sir2 0.0228 0.223 0.223
Trypanosoma brucei mitotic cyclin 6 0.0105 0.0201 0.0902
Brugia malayi diacylglycerol kinase 0.0117 0.0414 0.0565
Echinococcus multilocularis myotubularin protein 13 0.0117 0.0414 0.0414
Brugia malayi Protein kinase domain containing protein 0.0169 0.1261 0.1723
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0228 0.223 0.223
Schistosoma mansoni protein kinase C mu 0.0124 0.0519 0.0519
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0228 0.223 1
Brugia malayi RhoGAP domain containing protein 0.0117 0.0414 0.0565
Trypanosoma cruzi cyclin 6, putative 0.0105 0.0201 0.0902
Entamoeba histolytica protein kinase domain containing protein 0.0102 0.0154 0.0689
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0102 0.0154 0.1217
Brugia malayi Protein kinase domain containing protein 0.0169 0.1261 0.1723
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0102 0.0154 0.0689
Schistosoma mansoni chromatin regulatory protein sir2 0.0228 0.223 0.223
Echinococcus multilocularis unc 13 (munc13) 0.0136 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.0117 0.0414 0.0512
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0169 0.1261 0.1261
Echinococcus granulosus unc 13 munc13 0.0136 0.0717 0.0717
Echinococcus multilocularis raf serine:threonine protein kinase 0.0117 0.0414 0.0414
Entamoeba histolytica protein kinase, putative 0.0169 0.1261 0.5656
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0117 0.0414 0.0414
Echinococcus multilocularis serine threonine protein kinase 0.0582 0.8065 0.8065
Brugia malayi intracellular kinase 0.0102 0.0154 0.021
Giardia lamblia Kinase, CMGC GSK 0.0102 0.0154 0.0689
Echinococcus granulosus protein kinase shaggy 0.0102 0.0154 0.0154
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0117 0.0414 0.0414
Leishmania major cyclin 0.0105 0.0201 0.0902
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0382 0.4771 0.4771
Echinococcus granulosus Rac GTPase activating protein 1 0.0117 0.0414 0.0414
Schistosoma mansoni serine/threonine protein kinase 0.0169 0.1261 0.1261
Trichomonas vaginalis cyclins, putative 0.0105 0.0201 0.0902
Trypanosoma cruzi cyclin, putative 0.0105 0.0201 0.0902
Echinococcus granulosus Diacylglycerol kinase theta 0.0117 0.0414 0.0414
Trichomonas vaginalis AGC family protein kinase 0.0169 0.1261 0.5656
Brugia malayi Variant SH3 domain containing protein 0.0117 0.0414 0.0565
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0117 0.0414 0.0512
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0169 0.1261 0.1261
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase subunit type II alpha 0.0331 0.3926 0.4857
Toxoplasma gondii AGC kinase 0.0169 0.1261 1
Echinococcus granulosus chromatin regulatory protein sir2 0.0228 0.223 0.223
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0511 0.6892 0.8525
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0124 0.0519 0.0708
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0228 0.223 0.223
Brugia malayi C1-like domain containing protein 0.0124 0.0519 0.0708
Brugia malayi diacylglycerol kinase 0.0117 0.0414 0.0565
Echinococcus granulosus protein kinase C gamma type 0.0582 0.8065 0.8065
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0102 0.0154 0.0154
Brugia malayi RhoGEF domain containing protein 0.0117 0.0414 0.0565
Onchocerca volvulus 0.0136 0.0717 0.1095
Giardia lamblia Kinase, CMGC GSK 0.0102 0.0154 0.0689
Plasmodium vivax glycogen synthase kinase 3, putative 0.0102 0.0154 1
Loa Loa (eye worm) hypothetical protein 0.0512 0.6914 0.8553
Echinococcus multilocularis protein kinase c iota type 0.0508 0.685 0.685
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0102 0.0154 0.0154
Onchocerca volvulus 0.0105 0.0201 0.0092
Echinococcus granulosus serine:threonine protein kinase N2 0.0169 0.1261 0.1261
Trichomonas vaginalis AGC family protein kinase 0.0169 0.1261 0.5656
Schistosoma mansoni unc-13 (munc13) 0.0136 0.0717 0.0717
Echinococcus multilocularis serine:threonine protein kinase N2 0.0169 0.1261 0.1261
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0362 0.4441 0.5493
Echinococcus granulosus protein kinase c eta type 0.0117 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0105 0.0201 0.0249
Onchocerca volvulus 0.0117 0.0414 0.0506
Giardia lamblia Hypothetical protein 0.0228 0.223 1
Loa Loa (eye worm) AGC/NDR protein kinase 0.0169 0.1261 0.156
Schistosoma mansoni protein kinase C 0.0136 0.0717 0.0717
Trichomonas vaginalis AGC family protein kinase 0.0169 0.1261 0.5656
Schistosoma mansoni unc-13 (munc13) 0.0136 0.0717 0.0717
Trichomonas vaginalis AGC family protein kinase 0.0169 0.1261 0.5656
Loa Loa (eye worm) hypothetical protein 0.0117 0.0414 0.0512
Toxoplasma gondii diacylglycerol kinase, putative 0.0117 0.0414 0.3282
Trypanosoma cruzi cyclin, putative 0.0105 0.0201 0.0902
Schistosoma mansoni diacylglycerol kinase theta 0.0117 0.0414 0.0414
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0419 0.5387 0.6664
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0169 0.1261 0.1261
Loa Loa (eye worm) AGC/PKN protein kinase 0.0169 0.1261 0.156
Trichomonas vaginalis cyclin B, putative 0.0105 0.0201 0.0902
Loa Loa (eye worm) hypothetical protein 0.0117 0.0414 0.0512
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0102 0.0154 0.019
Loa Loa (eye worm) hypothetical protein 0.0414 0.5302 0.6558
Loa Loa (eye worm) cyclin domain-containing protein 0.0167 0.1232 0.1524
Echinococcus multilocularis protein kinase c eta type 0.0117 0.0414 0.0414
Plasmodium falciparum glycogen synthase kinase 3 0.0102 0.0154 1
Echinococcus multilocularis cyclin B 0.0105 0.0201 0.0201
Trypanosoma brucei rac serine-threonine kinase, putative 0.0169 0.1261 0.5656
Echinococcus granulosus myotubularin protein 13 0.0117 0.0414 0.0414
Brugia malayi Protein kinase domain containing protein 0.0169 0.1261 0.1723
Trichomonas vaginalis cyclin B, putative 0.0105 0.0201 0.0902
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0163 0.1157 0.5187
Trichomonas vaginalis AGC family protein kinase 0.0169 0.1261 0.5656
Schistosoma mansoni serine/threonine protein kinase 0.0699 1 1
Loa Loa (eye worm) hypothetical protein 0.0117 0.0414 0.0512
Schistosoma mansoni serine/threonine protein kinase 0.0169 0.1261 0.1261
Entamoeba histolytica diacylglycerol kinase, putative 0.0117 0.0414 0.1856
Loa Loa (eye worm) hypothetical protein 0.0414 0.5302 0.6558
Brugia malayi Cyclin, N-terminal domain containing protein 0.0105 0.0201 0.0275
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0228 0.223 1
Entamoeba histolytica diacylglycerol kinase, putative 0.0117 0.0414 0.1856
Echinococcus multilocularis protein kinase c epsilon type 0.0511 0.6892 0.6892
Loa Loa (eye worm) hypothetical protein 0.0105 0.0201 0.0249
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0136 0.0717 0.0717
Trichomonas vaginalis CMGC family protein kinase 0.0102 0.0154 0.0689
Schistosoma mansoni protein kinase 0.0382 0.4771 0.4771
Echinococcus multilocularis RNA directed DNA polymerase 0.0395 0.4979 0.4979
Schistosoma mansoni diacylglycerol kinase theta 0.0117 0.0414 0.0414
Entamoeba histolytica protein kinase domain containing protein 0.0102 0.0154 0.0689
Schistosoma mansoni vav2 0.0117 0.0414 0.0414
Echinococcus granulosus serine:threonine protein kinase N2 0.0212 0.1976 0.1976
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0102 0.0154 0.0689
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0102 0.0154 0.019
Trichomonas vaginalis CMGC family protein kinase 0.0102 0.0154 0.0689
Echinococcus multilocularis protein kinase shaggy 0.0102 0.0154 0.0154
Echinococcus multilocularis Rac GTPase activating protein 1 0.0117 0.0414 0.0414
Trichomonas vaginalis cyclin B, putative 0.0105 0.0201 0.0902
Loa Loa (eye worm) hypothetical protein 0.0117 0.0414 0.0512
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0169 0.1261 0.156
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0136 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.0414 0.5302 0.6558
Schistosoma mansoni serine/threonine kinase 0.0169 0.1261 0.1261
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0228 0.223 1
Schistosoma mansoni serine/threonine protein kinase 0.0511 0.6892 0.6892
Schistosoma mansoni atypical protein kinase C 0.0524 0.7118 0.7118
Echinococcus multilocularis N chimaerin 0.0117 0.0414 0.0414
Trichomonas vaginalis cyclins, putative 0.0105 0.0201 0.0902
Schistosoma mansoni serine/threonine protein kinase 0.0169 0.1261 0.1261
Echinococcus granulosus N chimaerin 0.0117 0.0414 0.0414
Entamoeba histolytica protein kinase, putative 0.0169 0.1261 0.5656
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0117 0.0414 0.0512
Loa Loa (eye worm) raf kinase 0.0117 0.0414 0.0512
Entamoeba histolytica PH domain containing protein kinase, putative 0.0212 0.1976 0.886
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0124 0.0519 0.0519
Schistosoma mansoni serine/threonine protein kinase 0.0699 1 1
Trichomonas vaginalis cyclins, putative 0.0105 0.0201 0.0902
Brugia malayi p70 ribosomal S6 kinase beta 0.0169 0.1261 0.1723
Echinococcus multilocularis serine:threonine protein kinase 38 0.0169 0.1261 0.1261
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0124 0.0519 0.0642
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0699 1 1
Brugia malayi RhoGAP domain containing protein 0.0117 0.0414 0.0565

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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