Detailed information for compound 1467400

Basic information

Technical information
  • TDR Targets ID: 1467400
  • Name: 6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-prop an-2-ylphenyl)sulfonylindole
  • MW: 431.979 | Formula: C22H26ClN3O2S
  • H donors: 0 H acceptors: 2 LogP: 4.92 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1cn(c2c1ccc(c2)Cl)S(=O)(=O)c1ccc(cc1)C(C)C
  • InChi: 1S/C22H26ClN3O2S/c1-16(2)17-4-7-19(8-5-17)29(27,28)26-15-22(25-12-10-24(3)11-13-25)20-9-6-18(23)14-21(20)26/h4-9,14-16H,10-13H2,1-3H3
  • InChiKey: AJQQBSCDJFVVMQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 6-chloro-1-(4-isopropylphenyl)sulfonyl-3-(4-methylpiperazin-1-yl)indole
  • 6-chloro-1-(4-isopropylphenyl)sulfonyl-3-(4-methyl-1-piperazinyl)indole
  • 6-chloro-3-(4-methylpiperazin-1-yl)-1-(4-propan-2-ylphenyl)sulfonyl-indole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tm gpcr rhodopsin Get druggable targets OG5_145685 All targets in OG5_145685
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily Get druggable targets OG5_145685 All targets in OG5_145685

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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1198 0.0726 0.982
Trichomonas vaginalis PIKK family atypical protein kinase 0.1188 0.072 0.9902
Loa Loa (eye worm) hypothetical protein 0.0502 0.0284 0.3914
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.029 0.0149 0.0431
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0575 0.0331 0.3521
Trichomonas vaginalis PIKK family atypical protein kinase 0.1186 0.0719 0.9877
Echinococcus granulosus serine protein kinase ATM 0.068 0.0397 0.0285
Loa Loa (eye worm) phosphatidylinositol kinase 0.0237 0.0116 0.1596
Trichomonas vaginalis PIKK family atypical protein kinase 0.1198 0.0726 1
Schistosoma mansoni hypothetical protein 0.0502 0.0284 0.27
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0356 0.0191 0.2633
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0676 0.0395 0.4569
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0237 0.0116 0.0334
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0237 0.0116 0.1567
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.068 0.0397 0.4512
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.1198 0.0726 0.9786
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0502 0.0284 0.017
Schistosoma mansoni phosphatidylinositol 4-kinase 0.029 0.0149 0.0537
Trichomonas vaginalis PIKK family atypical protein kinase 0.0665 0.0388 0.4454
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0665 0.0388 0.0275
Trichomonas vaginalis PIKK family atypical protein kinase 0.1186 0.0719 0.9877
Leishmania major phosphatidylinositol 3-kinase, putative 0.029 0.0149 0.0413
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0474 0.0267 0.247
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0641 0.0373 0.4206
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1178 0.0714 0.9828
Loa Loa (eye worm) phosphatidylinositol 3 0.0237 0.0116 0.1596
Trichomonas vaginalis PIKK family atypical protein kinase 0.1186 0.0719 0.9877
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0356 0.0191 0.1234
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.1198 0.0726 0.2093
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0356 0.0191 0.2586
Echinococcus multilocularis serine protein kinase ATM 0.068 0.0397 0.0285
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0356 0.0191 0.1234
Trichomonas vaginalis PIKK family atypical protein kinase 0.1176 0.0713 0.9778
Trichomonas vaginalis PIKK family atypical protein kinase 0.1186 0.0719 0.9877
Trichomonas vaginalis PIKK family atypical protein kinase 0.1167 0.0707 0.968
Trichomonas vaginalis PIKK family atypical protein kinase 0.1177 0.0713 0.9779
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 1.5798 1 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0749 0.0441 0.6071
Trypanosoma cruzi phosphatidylinositol kinase, putative 0.0237 0.0116 0.0334
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0404 0.0222 0.1739
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0457 0.0255 0.3453
Trichomonas vaginalis PIKK family atypical protein kinase 0.1177 0.0713 0.9779
Entamoeba histolytica protein kinase rad3, putative 0.0665 0.0388 0.4454
Loa Loa (eye worm) phosphatidylinositol 3 0.0237 0.0116 0.1596
Trichomonas vaginalis PIKK family atypical protein kinase 0.1176 0.0713 0.9778
Trichomonas vaginalis conserved hypothetical protein 0.0428 0.0237 0.1986
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.029 0.0149 0.2057
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.068 0.0397 0.1145
Loa Loa (eye worm) phosphatidylinositol 3 0.0119 0.0041 0.056
Trichomonas vaginalis PIKK family atypical protein kinase 0.1176 0.0713 0.9778
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.1198 0.0726 0.2006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0684 0.04 0.465
Leishmania major phosphatidylinositol kinase related protein, putative 0.0252 0.0125 0.0347
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0819 0.0485 0.0374
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1219 0.0739 1
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0457 0.0255 0.0141
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1167 0.0707 0.9731
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0641 0.0373 0.4206
Trichomonas vaginalis PIKK family atypical protein kinase 0.1186 0.0719 0.9877
Trichomonas vaginalis conserved hypothetical protein 0.0739 0.0435 0.5226
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0641 0.0373 0.4206
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.029 0.0149 0.0549
Mycobacterium leprae conserved hypothetical protein 0.0237 0.0116 0.5
Toxoplasma gondii target of rapamycin (TOR), putative 0.1186 0.0719 1
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.029 0.0149 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0819 0.0485 0.0374
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0356 0.0191 0.0551
Trypanosoma cruzi hypothetical protein, conserved 0.5517 0.3469 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0686 0.0401 0.4675
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1219 0.0739 0.0631
Trichomonas vaginalis PIKK family atypical protein kinase 0.1167 0.0707 0.968
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0356 0.0191 0.1234
Loa Loa (eye worm) hypothetical protein 0.0457 0.0255 0.3516
Mycobacterium tuberculosis Conserved hypothetical protein 0.0237 0.0116 0.5
Brugia malayi FAT domain containing protein 0.0502 0.0284 0.3844
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0256 0.0128 0.1761
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.1198 0.0726 1
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.029 0.0149 0.0413
Loa Loa (eye worm) phosphatidylinositol 3 0.1178 0.0714 0.9828
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.029 0.0149 0.0034
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.029 0.0149 0.0556
Loa Loa (eye worm) cytochrome P450 family protein 0.0115 0.0039 0.0531
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.1198 0.0726 0.0617
Echinococcus multilocularis Zinc finger, PHD finger 0.029 0.0149 0.0034
Leishmania major phosphatidylinositol 3-kinase, putative 0.1167 0.0707 0.1952
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.029 0.0149 0.0549
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1219 0.0739 0.2131
Loa Loa (eye worm) hypothetical protein 0.0665 0.0388 0.5339
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0356 0.0191 0.1234
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.1198 0.0726 0.0617
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.029 0.0149 0.0549
Trichomonas vaginalis PIKK family atypical protein kinase 0.1179 0.0714 0.9803
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.068 0.0397 0.5471
Trichomonas vaginalis PIKK family atypical protein kinase 0.1167 0.0707 0.968
Leishmania major phosphatidylinositol 4-kinase, putative 0.0237 0.0116 0.032
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0356 0.0191 0.1234
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1219 0.0739 0.2131
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.029 0.0149 0.0034
Trichomonas vaginalis PIKK family atypical protein kinase 0.1188 0.072 0.9902
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0641 0.0373 0.5038
Trichomonas vaginalis PIKK family atypical protein kinase 0.1186 0.0719 0.9877
Trichomonas vaginalis PIKK family atypical protein kinase 0.0684 0.04 0.465
Trichomonas vaginalis PIKK family atypical protein kinase 0.0696 0.0407 0.4774
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0252 0.0125 0.0362
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0237 0.0116 0.1567
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.029 0.0149 0.0549
Entamoeba histolytica hypothetical protein 0.0575 0.0331 0.3521
Trichomonas vaginalis PIKK family atypical protein kinase 0.1188 0.072 0.9902
Trichomonas vaginalis PIKK family atypical protein kinase 0.0676 0.0395 0.4569
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.029 0.0149 0.0537
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.054 0.0308 0.3155
Trichomonas vaginalis PIKK family atypical protein kinase 0.0428 0.0237 0.1986
Loa Loa (eye worm) hypothetical protein 0.0443 0.0247 0.3397
Entamoeba histolytica hypothetical protein 0.068 0.0397 0.4611
Trichomonas vaginalis PIKK family atypical protein kinase 0.1179 0.0714 0.9803
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.1198 0.0726 0.2006
Brugia malayi Cytochrome P450 family protein 0.0115 0.0039 0.0521
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0119 0.0041 0.0117
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0641 0.0373 0.1074
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0237 0.0116 0.1596
Loa Loa (eye worm) phosphatidylinositol 3 0.0237 0.0116 0.1596
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1178 0.0714 0.1971
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1219 0.0739 0.0631
Trichomonas vaginalis PIKK family atypical protein kinase 0.1167 0.0707 0.968
Toxoplasma gondii FATC domain-containing protein 0.068 0.0397 0.4668
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.068 0.0397 0.5372
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0819 0.0485 0.5924
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0177 0.0078 0.1055
Plasmodium falciparum phosphatidylinositol 3-kinase 0.029 0.0149 1
Leishmania major hypothetical protein, conserved 0.5754 0.362 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0246 0.0122 0.0098
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0356 0.0191 0.1208
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.029 0.0149 0.0556
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0665 0.0388 0.1117
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.1003 0.0602 0.0492
Loa Loa (eye worm) hypothetical protein 0.0739 0.0435 0.5988
Trichomonas vaginalis PIKK family atypical protein kinase 0.1177 0.0713 0.9779
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0457 0.0255 0.0141
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0237 0.0116 0.0334
Onchocerca volvulus 0.0237 0.0116 0.5
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.029 0.0149 0.0034
Trypanosoma brucei phosphatidylinositol 3-kinase catalytic subunit, putative 0.0237 0.0116 0.1596
Trichomonas vaginalis PIKK family atypical protein kinase 0.1198 0.0726 1
Echinococcus granulosus tm gpcr rhodopsin 0.1003 0.0602 0.0492
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0641 0.0373 0.4206
Trichomonas vaginalis PIKK family atypical protein kinase 0.1177 0.0713 0.9779
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0303 0.0158 0.0685
Schistosoma mansoni fkbp-rapamycin associated protein 0.0665 0.0388 0.4359
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.1198 0.0726 1
Leishmania major hypothetical protein, unknown function 0.0237 0.0116 0.032
Onchocerca volvulus 0.0237 0.0116 0.5
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.1198 0.0726 1
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.029 0.0149 0.2057
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.029 0.0149 0.0549
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.029 0.0149 0.202
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1188 0.072 0.9918
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0237 0.0116 0.1567
Trichomonas vaginalis PIKK family atypical protein kinase 0.1178 0.0714 0.9795
Leishmania major phosphatidylinositol kinase, putative 0.0237 0.0116 0.032
Trichomonas vaginalis PIKK family atypical protein kinase 0.1186 0.0719 0.9877
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1188 0.072 0.1989
Trichomonas vaginalis PIKK family atypical protein kinase 0.076 0.0448 0.5448
Trichomonas vaginalis PIKK family atypical protein kinase 0.1198 0.0726 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.1198 0.0726 0.2093
Trichomonas vaginalis conserved hypothetical protein 0.0502 0.0284 0.2759
Trichomonas vaginalis PIKK family atypical protein kinase 0.0684 0.04 0.465
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.054 0.0308 0.3155
Loa Loa (eye worm) hypothetical protein 0.0237 0.0116 0.1596
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0641 0.0373 0.1074
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.1198 0.0726 1
Loa Loa (eye worm) phosphatidylinositol 3 0.1198 0.0726 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0443 0.0247 0.0711
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.029 0.0149 0.0431
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0391 0.0214 0.16
Loa Loa (eye worm) phosphatidylinositol 3 0.0237 0.0116 0.1596
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0739 0.0435 0.5291
Loa Loa (eye worm) hypothetical protein 0.0185 0.0083 0.1137
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0237 0.0116 0.0334
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0502 0.0284 0.017
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0665 0.0388 0.5243
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1219 0.0739 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0753 0.0443 0.6107
Trichomonas vaginalis PIKK family atypical protein kinase 0.068 0.0397 0.4611
Trypanosoma cruzi target of rapamycin kinase 3 0.1188 0.072 0.2076
Trichomonas vaginalis PIKK family atypical protein kinase 0.1188 0.072 0.9902
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0055 0 0.5
Giardia lamblia GTOR 0.1198 0.0726 1
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0665 0.0388 0.0275
Trichomonas vaginalis PIKK family atypical protein kinase 0.1188 0.072 0.9902

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 55.3 nM Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells by glass fiber filtration assay ChEMBL. 21134749

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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