Detailed information for compound 1722465

Basic information

Technical information
  • TDR Targets ID: 1722465
  • Name: N-[2-methoxy-5-(5-propan-2-yloxyindol-1-yl)su lfonylphenyl]-1-methylpiperidin-4-amine
  • MW: 457.586 | Formula: C24H31N3O4S
  • H donors: 1 H acceptors: 2 LogP: 4.55 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC1CCN(CC1)C)S(=O)(=O)n1ccc2c1ccc(c2)OC(C)C
  • InChi: 1S/C24H31N3O4S/c1-17(2)31-20-5-7-23-18(15-20)9-14-27(23)32(28,29)21-6-8-24(30-4)22(16-21)25-19-10-12-26(3)13-11-19/h5-9,14-17,19,25H,10-13H2,1-4H3
  • InChiKey: MLAKNKKHVMHLQF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(5-isopropoxyindol-1-yl)sulfonyl-2-methoxy-phenyl]-1-methyl-piperidin-4-amine
  • N-[5-[(5-isopropoxy-1-indolyl)sulfonyl]-2-methoxyphenyl]-1-methyl-4-piperidinamine
  • [5-(5-isopropoxyindol-1-yl)sulfonyl-2-methoxy-phenyl]-(1-methyl-4-piperidyl)amine
  • N-[2-methoxy-5-(5-propan-2-yloxyindol-1-yl)sulfonyl-phenyl]-1-methyl-piperidin-4-amine

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
Toxoplasma gondii methionine aminopeptidase 0.0044 0.0145 1
Echinococcus granulosus calpain 5 0.002 0.004 0.0259
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0028 0.0076 0.422
Schistosoma mansoni hypothetical protein 0.0042 0.0136 0.2104
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0028 0.0076 0.422
Loa Loa (eye worm) hypothetical protein 0.0066 0.024 0.024
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0025 0.0025
Echinococcus granulosus GPCR family 2 0.0016 0.0025 0.0162
Loa Loa (eye worm) calpain 0.002 0.004 0.004
Brugia malayi Cache domain containing protein 0.0075 0.0275 0.0275
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0157 0.2428
Trypanosoma cruzi hypothetical protein, conserved 0.0722 0.3052 1
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0168 0.0677 0.439
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0157 0.0157
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.004 0.005
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0175 0.0175
Brugia malayi calpain 5 0.002 0.004 0.004
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0028 0.0076 0.1167
Echinococcus multilocularis calpain 0.002 0.004 0.0259
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.004 0.005
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0044 0.0145 0.0397
Entamoeba histolytica hypothetical protein 0.0042 0.0136 0.0097
Entamoeba histolytica hypothetical protein 0.0042 0.0136 0.0097
Leishmania major hypothetical protein, conserved 0.0722 0.3052 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0047 0.0155 0.0155
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0081 0.0305 0.47
Schistosoma mansoni hypothetical protein 0.0087 0.0328 0.5067
Trypanosoma cruzi kinesin, putative 0.002 0.004 0.005
Echinococcus granulosus voltage dependent calcium channel subunit 0.037 0.1543 1
Schistosoma mansoni hypothetical protein 0.0035 0.0106 0.1633
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0025 0.0162
Trypanosoma brucei methionine aminopeptidase, putative 0.0044 0.0145 0.0397
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0044 0.0145 0.094
Echinococcus granulosus calpain A 0.007 0.0254 0.1648
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.024 0.37
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.004 0.005
Treponema pallidum methionine aminopeptidase (map) 0.0028 0.0076 0.5
Brugia malayi calpain family protein 1 0.0066 0.024 0.024
Echinococcus granulosus voltage dependent calcium channel subunit 0.0168 0.0677 0.439
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0175 0.0175
Echinococcus multilocularis calpain 5 0.002 0.004 0.0259
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.004 0.0617
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.004 0.005
Echinococcus granulosus calpain 0.002 0.004 0.0259
Trypanosoma cruzi calpain cysteine peptidase, putative 0.002 0.004 0.005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0175 0.0175
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0025 0.0025
Loa Loa (eye worm) hypothetical protein 0.0047 0.0155 0.0155
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.007 0.0254 0.3924
Brugia malayi calpain 7 0.002 0.004 0.004
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.004 0.005
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.1621 0.6904 1
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.007 0.0254 0.1648
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0157 0.1019
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.004 0.005
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0157 0.0157
Schistosoma mansoni hypothetical protein 0.0016 0.0025 0.0386
Echinococcus granulosus calpain A 0.002 0.004 0.0259
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0025 0.0162
Schistosoma mansoni calpain (C02 family) 0.002 0.004 0.0617
Schistosoma mansoni Mername-AA248 (C02 family) 0.002 0.004 0.0617
Loa Loa (eye worm) hypothetical protein 0.0051 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.0035 0.0106 0.0106
Loa Loa (eye worm) calpain 5 0.002 0.004 0.004
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.004 0.005
Brugia malayi calpain family protein 1 0.0066 0.024 0.024
Schistosoma mansoni hypothetical protein 0.0016 0.0025 0.0386
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0025 0.0025
Schistosoma mansoni hypothetical protein 0.0016 0.0025 0.0386
Entamoeba histolytica hypothetical protein 0.0042 0.0136 0.0097
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0044 0.0145 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0106 0.0106
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.004 0.005
Schistosoma mansoni calpain C (C02 family) 0.002 0.004 0.0617
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0044 0.0145 0.0397
Onchocerca volvulus 0.0047 0.0155 0.0155
Plasmodium vivax calpain, putative 0.002 0.004 0.1259
Loa Loa (eye worm) hypothetical protein 0.0066 0.024 0.024
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.007 0.0254 0.3924
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0157 0.1019
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0044 0.0145 1
Brugia malayi hypothetical protein 0.0042 0.0136 0.0136
Chlamydia trachomatis methionine aminopeptidase 0.0028 0.0076 0.5
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0186 0.0752 0.0752
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.007 0.0254 0.1648
Toxoplasma gondii methionine aminopeptidase 0.0028 0.0076 0.422
Trypanosoma cruzi kinesin, putative 0.002 0.004 0.005
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.004 0.005
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0162 0.0648 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0025 0.0162
Trypanosoma cruzi hypothetical protein, conserved 0.0722 0.3052 1
Loa Loa (eye worm) methionine aminopeptidase type I 0.0044 0.0145 0.0145
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0044 0.0145 0.0397
Trypanosoma brucei calpain-like protein, putative 0.002 0.004 0.005
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0044 0.0145 0.0397
Echinococcus multilocularis calpain A 0.007 0.0254 0.1648
Echinococcus multilocularis voltage dependent calcium channel subunit 0.037 0.1543 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0275 0.0275
Trypanosoma brucei calpain-like protein, putative 0.002 0.004 0.005
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0028 0.0076 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0157 0.2428
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0136 0.0883
Schistosoma mansoni serine-rich repeat protein 0.0087 0.0328 0.5067
Trypanosoma brucei kinesin, putative 0.002 0.004 0.005
Schistosoma mansoni hypothetical protein 0.0016 0.0025 0.0386
Schistosoma mansoni calpain-7 (C02 family) 0.002 0.004 0.0617
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0136 0.0883
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.002 0.004 0.005
Trypanosoma brucei antigen, putative 0.002 0.004 0.005
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.002 0.004 0.005
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0025 0.0162
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0028 0.0076 0.5
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.002 0.004 0.005
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0028 0.0076 0.1167
Echinococcus multilocularis hypothetical protein 0.002 0.004 0.0259
Brugia malayi Methionine aminopeptidase protein type I 0.0044 0.0145 0.0145
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0044 0.0145 0.0397
Trypanosoma brucei calpain-like protein, putative 0.002 0.004 0.005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0157 0.1019
Echinococcus multilocularis GPCR, family 2 0.0016 0.0025 0.0162
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0028 0.0076 0.049
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.002 0.004 0.005
Echinococcus multilocularis calpain family protein 1, d 0.0047 0.0155 0.1005
Brugia malayi N-terminal motif family protein 0.0186 0.0752 0.0752
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0722 0.3052 1
Loa Loa (eye worm) calpain family protein 1 0.0047 0.0155 0.0155
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.002 0.004 0.005
Leishmania major kinesin, putative 0.002 0.004 0.005
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0028 0.0076 0.5
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0028 0.0076 0.422
Entamoeba histolytica hypothetical protein 0.0042 0.0136 0.0097
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0157 0.2428
Trypanosoma brucei calpain-like protein, putative 0.002 0.004 0.005
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0157 0.1019
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0136 0.2104
Echinococcus multilocularis calpain 7 (C02 family) 0.002 0.004 0.0259
Loa Loa (eye worm) hypothetical protein 0.0186 0.0752 0.0752
Echinococcus granulosus calpain 7 C02 family 0.002 0.004 0.0259
Loa Loa (eye worm) calpain family protein 1 0.0066 0.024 0.024
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0044 0.0145 0.094

Activities

Activity type Activity value Assay description Source Reference
Imax (functional) = 100 % Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells assessed as inhibition of 5HT-induced luciferase activity after 4 hrs by reporter gene assay relative to control ChEMBL. 23006002
Kb (functional) = 2.2 nM Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells assessed as inhibition of 5HT-induced luciferase activity after 4 hrs by reporter gene assay ChEMBL. 23006002

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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