Detailed information for compound 342749

Basic information

Technical information
  • TDR Targets ID: 342749
  • Name: (2-iodophenyl)-[2-methyl-1-[(1-methylpiperidi n-2-yl)methyl]indol-3-yl]methanone
  • MW: 472.362 | Formula: C23H25IN2O
  • H donors: 0 H acceptors: 1 LogP: 5.28 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCCCC1Cn1c2ccccc2c(c1C)C(=O)c1ccccc1I
  • InChi: 1S/C23H25IN2O/c1-16-22(23(27)18-10-3-5-12-20(18)24)19-11-4-6-13-21(19)26(16)15-17-9-7-8-14-25(17)2/h3-6,10-13,17H,7-9,14-15H2,1-2H3
  • InChiKey: FPYAVJFDESIWFK-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • (2-iodophenyl)-[2-methyl-1-[(1-methyl-2-piperidyl)methyl]indol-3-yl]methanone
  • (2-iodophenyl)-[2-methyl-1-[(1-methyl-2-piperidinyl)methyl]-3-indolyl]methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus cannabinoid receptor 2 (macrophage) Starlite/ChEMBL References
Rattus norvegicus Cannabinoid CB1 receptor Starlite/ChEMBL References

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
Trichomonas vaginalis tubulin epsilon chain, putative 0.0419 0.624 0.6681
Echinococcus multilocularis tubulin subunit beta 0.0556 0.87 1
Trypanosoma cruzi alpha tubulin, putative 0.0419 0.624 0.4129
Echinococcus granulosus beta tubulin 0.0556 0.87 1
Mycobacterium tuberculosis Cell division protein FtsZ 0.0144 0.1288 0.5
Giardia lamblia Epsilon tubulin 0.0172 0.1802 0.0694
Loa Loa (eye worm) hypothetical protein 0.0419 0.624 0.6121
Trichomonas vaginalis tubulin, putative 0.0169 0.1754 0.0629
Leishmania major beta tubulin 0.0556 0.87 1
Echinococcus multilocularis tubulin alpha chain 0.0419 0.624 0.7053
Echinococcus multilocularis hypothetical protein 0.0419 0.624 0.7053
Trichomonas vaginalis tubulin beta chain, putative 0.0419 0.624 0.6681
Leishmania major alpha tubulin 0.0419 0.624 0.4129
Echinococcus granulosus beta tubulin 0.0556 0.87 1
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0144 0.1288 0.5
Loa Loa (eye worm) tubulin alpha 2 0.0276 0.3663 0.3462
Trichomonas vaginalis tubulin epsilon chain, putative 0.0419 0.624 0.6681
Echinococcus granulosus tubulin alpha chain 0.0419 0.624 0.7053
Leishmania major beta tubulin 0.0556 0.87 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0342 0.4852 0.4809
Treponema pallidum cell division protein FtsZ 0.0144 0.1288 0.5
Loa Loa (eye worm) tubulin alpha-3 chain 0.025 0.3197 0.2981
Trichomonas vaginalis tubulin beta chain, putative 0.0419 0.624 0.6681
Schistosoma mansoni tubulin subunit delta 0.0144 0.1288 0.1436
Schistosoma mansoni tubulin subunit beta 0.0144 0.1288 0.1436
Echinococcus multilocularis Tubulin beta 2C chain 0.0556 0.87 1
Brugia malayi Tubulin gamma chain 0.0342 0.4852 0.4852
Brugia malayi Cell division protein ftsZ 0.0144 0.1288 0.1288
Trichomonas vaginalis tubulin beta chain, putative 0.0419 0.624 0.6681
Toxoplasma gondii beta-tubulin, putative 0.0556 0.87 1
Leishmania major alpha tubulin 0.0419 0.624 0.4129
Plasmodium vivax tubulin alpha chain, putative 0.0419 0.624 0.6681
Trichomonas vaginalis tubulin alpha chain, putative 0.0313 0.4331 0.4105
Echinococcus multilocularis tubulin beta 1 chain 0.0556 0.87 1
Schistosoma mansoni alpha tubulin 0.0419 0.624 0.7158
Brugia malayi tubulin alpha chain - mouse 0.0419 0.624 0.624
Leishmania major beta tubulin 0.0556 0.87 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0342 0.4845 0.4799
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.025 0.3197 0.2576
Leishmania major beta tubulin 0.0556 0.87 1
Brugia malayi Tubulin beta chain 0.0169 0.1754 0.1754
Schistosoma mansoni tubulin subunit alpha 0.0144 0.1288 0.1436
Echinococcus multilocularis Tubulin beta 2C chain 0.0556 0.87 1
Echinococcus multilocularis tubulin delta chain 0.0144 0.1288 0.112
Trypanosoma cruzi epsilon tubulin, putative 0.0342 0.4845 0.0798
Loa Loa (eye worm) tubulin alpha chain 0.0419 0.624 0.6121
Echinococcus multilocularis beta tubulin 0.0556 0.87 1
Schistosoma mansoni hypothetical protein 0.0182 0.1983 0.224
Trypanosoma cruzi epsilon tubulin, putative 0.0342 0.4845 0.0798
Leishmania major beta tubulin 0.0556 0.87 1
Schistosoma mansoni tubulin subunit epsilon 0.0342 0.4845 0.5546
Trypanosoma brucei zeta tubulin, putative 0.0444 0.6675 0.7085
Brugia malayi Tubulin beta chain 0.0144 0.1288 0.1288
Leishmania major beta tubulin 0.0556 0.87 1
Echinococcus multilocularis tubulin alpha 3 chain 0.0419 0.624 0.7053
Mycobacterium ulcerans cell division protein FtsZ 0.0144 0.1288 0.5
Schistosoma mansoni tubulin subunit alpha 0.0419 0.624 0.7158
Echinococcus multilocularis tubulin alpha 0.0313 0.4331 0.4766
Echinococcus granulosus Tubulin beta 2C chain 0.0556 0.87 1
Schistosoma mansoni tubulin subunit gamma 0.0342 0.4852 0.5555
Leishmania major beta tubulin 0.0556 0.87 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0556 0.87 0.8658
Echinococcus granulosus tubulin alpha chain 0.0419 0.624 0.7053
Toxoplasma gondii alpha tubulin TUBA1 0.0419 0.624 0.6434
Plasmodium falciparum alpha tubulin 1 0.0419 0.624 0.6681
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0276 0.3663 0.3205
Brugia malayi tubulin alpha-2 chain 0.0419 0.624 0.624
Echinococcus multilocularis tubulin alpha chain 0.0419 0.624 0.7053
Echinococcus multilocularis peroxisome assembly protein 26 0.0419 0.624 0.7053
Trypanosoma cruzi zeta tubulin, putative 0.0444 0.6675 0.5167
Toxoplasma gondii beta tubulin 0.0556 0.87 1
Trypanosoma brucei beta tubulin 0.0556 0.87 1
Mycobacterium leprae cell division protein FtsZ 0.0144 0.1288 0.5
Trichomonas vaginalis tubulin beta chain, putative 0.0556 0.87 1
Leishmania major beta tubulin 0.0556 0.87 1
Plasmodium falciparum tubulin epsilon chain, putative 0.0342 0.4845 0.4799
Loa Loa (eye worm) tubulin alpha 2 0.0106 0.0621 0.0323
Leishmania major alpha tubulin 0.0419 0.624 0.4129
Schistosoma mansoni tubulin subunit alpha 0.0419 0.624 0.7158
Echinococcus granulosus tubulin alpha chain 0.0419 0.624 0.7053
Leishmania major beta tubulin 0.0556 0.87 1
Trypanosoma brucei zeta tubulin 0.0444 0.6675 0.7085
Leishmania major alpha tubulin 0.0419 0.624 0.4129
Trypanosoma brucei tubulin gamma chain 0.0342 0.4852 0.4461
Loa Loa (eye worm) hypothetical protein 0.025 0.3197 0.2981
Echinococcus multilocularis Tubulin beta 2C chain 0.0556 0.87 1
Brugia malayi Tubulin alpha chain 0.0419 0.624 0.624
Loa Loa (eye worm) tubulin beta chain 0.0144 0.1288 0.1011
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0323 0.451 0.3926
Loa Loa (eye worm) tubulin beta-4 chain 0.0556 0.87 0.8658
Echinococcus granulosus Tubulin beta 2C chain 0.0556 0.87 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0556 0.87 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0313 0.4331 0.3666
Trichomonas vaginalis tubulin gamma chain, putative 0.0556 0.87 1
Leishmania major beta tubulin 0.0556 0.87 1
Trichomonas vaginalis tubulin alpha chain, putative 0.0169 0.1754 0.0629
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0276 0.3663 0.3462
Echinococcus multilocularis beta tubulin 0.0556 0.87 1
Echinococcus granulosus tubulin beta 4A class IVa 0.0556 0.87 1
Schistosoma mansoni tubulin subunit beta 0.0556 0.87 1
Trypanosoma brucei epsilon tubulin 0.0313 0.4331 0.371
Echinococcus granulosus tubulin beta 1 chain 0.0556 0.87 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0556 0.87 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0419 0.624 0.6681
Echinococcus granulosus peroxisome assembly protein 26 0.0419 0.624 0.7053
Echinococcus granulosus tubulin alpha chain 0.0419 0.624 0.7053
Echinococcus multilocularis tubulin epsilon chain 0.0342 0.4845 0.5382
Schistosoma mansoni tubulin subunit beta 0.0556 0.87 1
Echinococcus multilocularis geminin 0.0182 0.1983 0.1954
Plasmodium falciparum alpha tubulin 2 0.0419 0.624 0.6681
Echinococcus multilocularis tubulin subunit TubB 0.0419 0.624 0.7053
Loa Loa (eye worm) tubulin alpha 2 0.0276 0.3663 0.3462
Trypanosoma cruzi beta tubulin, putative 0.0556 0.87 1
Plasmodium falciparum tubulin beta chain 0.0556 0.87 1
Leishmania major beta tubulin 0.0556 0.87 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0419 0.624 0.7053
Schistosoma mansoni hypothetical protein 0.0182 0.1983 0.224
Echinococcus granulosus tubulin subunit beta 0.0556 0.87 1
Leishmania major beta tubulin 0.0556 0.87 1
Loa Loa (eye worm) BEN-1 protein 0.0556 0.87 0.8658
Echinococcus granulosus tubulin gamma 1 chain 0.0342 0.4852 0.5391
Entamoeba histolytica tubulin alpha chain, putative 0.0419 0.624 0.3607
Trichomonas vaginalis tubulin alpha chain, putative 0.0169 0.1754 0.0629
Echinococcus granulosus alpha tubulin 0.0419 0.624 0.7053
Loa Loa (eye worm) tubulin beta chain 0.0556 0.87 0.8658
Trypanosoma brucei beta tubulin 0.0556 0.87 1
Brugia malayi beta-tubulin, identical 0.0556 0.87 0.87
Schistosoma mansoni alpha tubulin 0.0419 0.624 0.7158
Echinococcus granulosus tubulin alpha 0.0313 0.4331 0.4766
Loa Loa (eye worm) alpha-tubulin 0.0419 0.624 0.6121
Trichomonas vaginalis tubulin alpha chain, putative 0.0556 0.87 1
Trypanosoma brucei alpha tubulin 0.0419 0.624 0.6459
Brugia malayi bZIP transcription factor family protein 0.0091 0.0352 0.0352
Entamoeba histolytica tubulin family protein 0.0556 0.87 1
Trypanosoma cruzi zeta tubulin, putative 0.0444 0.6675 0.5167
Brugia malayi Tubulin alpha chain 0.0144 0.1288 0.1288
Trypanosoma brucei alpha tubulin 0.0419 0.624 0.6459
Schistosoma mansoni tubulin subunit beta 0.0556 0.87 1
Leishmania major alpha tubulin 0.0419 0.624 0.4129
Trichomonas vaginalis tubulin beta chain, putative 0.0419 0.624 0.6681
Leishmania major alpha tubulin 0.0419 0.624 0.4129
Echinococcus granulosus Tubulin beta 2C chain 0.0556 0.87 1
Toxoplasma gondii alpha-tubulin I, putative 0.0419 0.624 0.6434
Leishmania major beta tubulin 0.0556 0.87 1
Leishmania major gamma-tubulin 0.0342 0.4852 0.0817
Trichomonas vaginalis tubulin, putative 0.0556 0.87 1
Echinococcus granulosus tubulin subunit TubB 0.0419 0.624 0.7053
Trypanosoma cruzi tubulin gamma chain 0.0342 0.4852 0.0817
Schistosoma mansoni tubulin subunit beta 0.0556 0.87 1
Leishmania major zeta tubulin, putative 0.0444 0.6675 0.5167
Echinococcus granulosus Tubulin beta 2C chain 0.0556 0.87 1
Giardia lamblia Alpha-tubulin 0.0419 0.624 0.6681
Plasmodium vivax tubulin alpha chain, putative 0.0419 0.624 0.6681
Echinococcus granulosus Tubulin alpha 1 chain 0.0419 0.624 0.7053
Loa Loa (eye worm) hypothetical protein 0.0629 1 1
Schistosoma mansoni alpha tubulin 0.0419 0.624 0.7158
Leishmania major alpha tubulin 0.0419 0.624 0.4129
Leishmania major alpha tubulin 0.0419 0.624 0.4129
Trichomonas vaginalis tubulin beta chain, putative 0.0169 0.1754 0.0629
Leishmania major alpha tubulin 0.0419 0.624 0.4129
Trichomonas vaginalis tubulin beta chain, putative 0.0419 0.624 0.6681
Echinococcus granulosus Tubulin alpha 1 chain 0.0419 0.624 0.7053
Trypanosoma brucei beta tubulin 0.0556 0.87 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0419 0.624 0.7053
Leishmania major beta tubulin 0.0556 0.87 1
Trypanosoma brucei tubulin delta chain 0.0323 0.451 0.3968
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0556 0.87 1
Echinococcus granulosus Tubulin beta 2C chain 0.0556 0.87 1
Echinococcus multilocularis tubulin alpha chain 0.0419 0.624 0.7053
Loa Loa (eye worm) tubulin alpha chain 0.0419 0.624 0.6121
Leishmania major alpha tubulin 0.0419 0.624 0.4129
Trypanosoma brucei beta tubulin 0.0556 0.87 1
Entamoeba histolytica tubulin family protein 0.0556 0.87 1
Echinococcus granulosus tubulin delta chain 0.0144 0.1288 0.112
Trypanosoma brucei beta tubulin 0.0313 0.4331 0.371
Plasmodium falciparum tubulin gamma chain 0.0342 0.4852 0.4809
Entamoeba histolytica tubulin alpha-1 chain 0.0419 0.624 0.3607
Echinococcus multilocularis tubulin gamma 1 chain 0.0342 0.4852 0.5391
Trypanosoma brucei epsilon tubulin 0.0342 0.4845 0.445
Loa Loa (eye worm) BEN-1 protein 0.0556 0.87 0.8658
Echinococcus granulosus tubulin alpha 3 chain 0.0419 0.624 0.7053
Leishmania major beta tubulin 0.0556 0.87 1
Loa Loa (eye worm) beta-tubulin 0.0556 0.87 0.8658
Echinococcus multilocularis Tubulin beta 2C chain 0.0556 0.87 1
Giardia lamblia Alpha-tubulin 0.0419 0.624 0.6681
Giardia lamblia Beta tubulin 0.0556 0.87 1
Trypanosoma brucei alpha tubulin 0.0419 0.624 0.6459
Echinococcus multilocularis Tubulin alpha 1 chain 0.0419 0.624 0.7053
Leishmania major beta tubulin 0.0556 0.87 1
Echinococcus granulosus tubulin alpha 1C chain 0.0419 0.624 0.7053
Echinococcus granulosus geminin 0.0182 0.1983 0.1954
Loa Loa (eye worm) hypothetical protein 0.0276 0.3663 0.3462
Giardia lamblia Gamma tubulin 0.0342 0.4852 0.4809
Brugia malayi Tubulin alpha-2 chain 0.0419 0.624 0.624
Loa Loa (eye worm) tubulin alpha-2 chain 0.0419 0.624 0.6121
Leishmania major epsilon tubulin, putative 0.0342 0.4845 0.0798
Echinococcus multilocularis tubulin alpha chain 0.0419 0.624 0.7053
Trypanosoma brucei epsilon tubulin 0.0342 0.4845 0.445
Leishmania major alpha tubulin 0.0419 0.624 0.4129
Brugia malayi alpha-tubulin 0.0419 0.624 0.624
Trichomonas vaginalis tubulin alpha chain, putative 0.0169 0.1754 0.0629
Echinococcus granulosus tubulin alpha 3 chain 0.0419 0.624 0.7053
Plasmodium vivax tubulin epsilon chain, putative 0.0342 0.4845 0.4799
Echinococcus multilocularis tubulin alpha 1C chain 0.0419 0.624 0.7053
Echinococcus multilocularis tubulin alpha 3 chain 0.0419 0.624 0.7053
Brugia malayi Tubulin beta-1 chain 0.0556 0.87 0.87
Echinococcus multilocularis tubulin alpha chain 0.0419 0.624 0.7053
Giardia lamblia Beta tubulin 0.0556 0.87 1
Schistosoma mansoni tubulin subunit beta 0.0556 0.87 1
Onchocerca volvulus 0.0169 0.1754 1
Schistosoma mansoni tubulin subunit beta 0.0556 0.87 1
Plasmodium vivax tubulin beta chain, putative 0.0556 0.87 1
Echinococcus granulosus tubulin alpha 1C chain 0.0419 0.624 0.7053
Echinococcus granulosus tubulin epsilon chain 0.0342 0.4845 0.5382
Trichomonas vaginalis tubulin, putative 0.0173 0.181 0.0704
Schistosoma mansoni tubulin subunit alpha 0.0419 0.624 0.7158
Trichomonas vaginalis tubulin epsilon chain, putative 0.0556 0.87 1
Trichomonas vaginalis tubulin, putative 0.0169 0.1754 0.0629
Plasmodium vivax tubulin gamma chain, putative 0.0342 0.4852 0.4809
Trichomonas vaginalis tubulin beta chain, putative 0.0419 0.624 0.6681
Leishmania major beta tubulin 0.0556 0.87 1
Giardia lamblia Beta tubulin 0.0556 0.87 1
Brugia malayi Tubulin alpha-2 chain 0.0419 0.624 0.624
Trypanosoma brucei alpha tubulin 0.0419 0.624 0.6459
Loa Loa (eye worm) alpha-tubulin 0.0419 0.624 0.6121
Loa Loa (eye worm) tubulin beta-2A chain 0.0556 0.87 0.8658
Loa Loa (eye worm) tubulin gamma chain 0.0342 0.4852 0.4689
Echinococcus multilocularis Tubulin alpha 1 chain 0.0419 0.624 0.7053
Echinococcus multilocularis Tubulin alpha 1 chain 0.0419 0.624 0.7053
Leishmania major beta tubulin 0.0556 0.87 1
Echinococcus granulosus tubulin alpha chain 0.0419 0.624 0.7053
Leishmania major alpha tubulin 0.0419 0.624 0.4129
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0169 0.1754 0.0629
Toxoplasma gondii beta-1 tubulin, putative 0.0556 0.87 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6.7 nM Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55,940 ChEMBL. 16190764
Ki (binding) = 6.7 nM Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55,940 ChEMBL. 16190764
Ki (binding) = 10 nM Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55,940 ChEMBL. 16190764
Ki (binding) = 10 nM Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55,940 ChEMBL. 16190764
Ki (binding) = 34 nM Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55,940 ChEMBL. 16190764
Ki (binding) = 34 nM Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55,940 ChEMBL. 16190764
Ki (binding) = 34 nM Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55,940 ChEMBL. 16190764
Ki (binding) = 34 nM Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55,940 ChEMBL. 16190764
Ki (binding) = 83 nM Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55,940 ChEMBL. 16190764
Ki (binding) = 83 nM Binding affinity towards mouse spleen cannabinoid receptor 2 using [3H]CP-55,940 ChEMBL. 16190764
Ki (binding) = 1200 nM Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55,940 ChEMBL. 16190764
Ki (binding) = 1200 nM Binding affinity towards rat forebrain cannabinoid receptor 1 using [3H]CP-55,940 ChEMBL. 16190764

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.