Detailed information for compound 607183

Basic information

Technical information
  • TDR Targets ID: 607183
  • Name: 1-(tert-butylamino)-3-(3,6-diiodocarbazol-9-y l)propan-2-ol
  • MW: 548.2 | Formula: C19H22I2N2O
  • H donors: 2 H acceptors: 1 LogP: 4.51 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(Cn1c2ccc(cc2c2c1ccc(c2)I)I)CNC(C)(C)C
  • InChi: 1S/C19H22I2N2O/c1-19(2,3)22-10-14(24)11-23-17-6-4-12(20)8-15(17)16-9-13(21)5-7-18(16)23/h4-9,14,22,24H,10-11H2,1-3H3
  • InChiKey: WMBNVWVJUNVWED-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(tert-butylamino)-3-(3,6-diiodo-9-carbazolyl)propan-2-ol
  • EU-0013364

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
Trypanosoma cruzi galactokinase-like protein, putative 0.0471 0.8607 0.8607
Brugia malayi mevalonate kinase family protein 0.0166 0.2553 0.584
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0041 0.0072 0.0072
Trypanosoma cruzi galactokinase, putative 0.0541 1 1
Echinococcus granulosus N acetylgalactosamine kinase 0.0252 0.4265 0.4265
Echinococcus multilocularis N acetylgalactosamine kinase 0.0252 0.4265 0.4265
Loa Loa (eye worm) hypothetical protein 0.0166 0.2553 0.584
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.065 0.065
Loa Loa (eye worm) hypothetical protein 0.0052 0.0303 0.0692
Mycobacterium tuberculosis Probable galactokinase GalK (galactose kinase) 0.0541 1 1
Brugia malayi hypothetical protein 0.0071 0.0676 0.1547
Trichomonas vaginalis galactokinase, putative 0.0252 0.4265 1
Leishmania major fucose kinase, putative 0.007 0.0661 0.0661
Mycobacterium tuberculosis Possible D-alpha-D-heptose-7-phosphate kinase HddA 0.0166 0.2553 0.2026
Schistosoma mansoni galactokinase 0.0252 0.4265 0.4456
Trypanosoma brucei mevalonate diphosphate decarboxylase 0.007 0.0661 0.1033
Loa Loa (eye worm) hypothetical protein 0.007 0.0661 0.1512
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0151 0.0158
Mycobacterium ulcerans mevalonate kinase, Erg12 0.0166 0.2553 0.2026
Trypanosoma brucei phosphomevalonate kinase protein, putative 0.0166 0.2553 0.3992
Echinococcus multilocularis transcription factor Dp 1 0.004 0.0068 0.0068
Echinococcus multilocularis geminin 0.0519 0.9569 0.9569
Trichomonas vaginalis galactokinase, putative 0.0252 0.4265 1
Trypanosoma brucei mevalonate kinase, putative 0.0166 0.2553 0.3992
Echinococcus multilocularis diphosphomevalonate decarboxylase 0.007 0.0661 0.0661
Trypanosoma cruzi mevalonate kinase, putative 0.0166 0.2553 0.2553
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0151 0.0151
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.065 0.065
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.065 0.1016
Trypanosoma brucei mevalonate-diphosphate decarboxylase 0.007 0.0661 0.1033
Trypanosoma cruzi galactokinase, putative 0.0471 0.8607 0.8607
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.065 0.065
Mycobacterium ulcerans phosphomevalonate kinase 0.0166 0.2553 0.2026
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0303 0.0473
Leishmania major fucose kinase, putative 0.007 0.0661 0.0661
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0303 0.0303
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.007 0.0661 0.0661
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.3436 0.7859
Leishmania major galactokinase-like protein 0.0541 1 1
Trichomonas vaginalis mevalonate kinase, putative 0.007 0.0661 0.155
Echinococcus granulosus tar DNA binding protein 0.0257 0.4372 0.4372
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.0151 0.0151
Schistosoma mansoni hypothetical protein 0.0071 0.0676 0.0707
Entamoeba histolytica galactokinase, putative 0.0541 1 1
Echinococcus multilocularis Mevalonate galactokinase 0.0166 0.2553 0.2553
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0303 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0676 0.0676
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.065 0.065
Trypanosoma cruzi fucose kinase, putative 0.0095 0.1161 0.1161
Trichomonas vaginalis galactokinase, putative 0.0252 0.4265 1
Entamoeba histolytica hypothetical protein 0.0071 0.0676 0.0676
Entamoeba histolytica hypothetical protein 0.0071 0.0676 0.0676
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1239 0.2834
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0303 1
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0166 0.2553 0.2026
Trichomonas vaginalis galactokinase, putative 0.0252 0.4265 1
Treponema pallidum galactokinase 0.0471 0.8607 1
Echinococcus granulosus diphosphomevalonate decarboxylase 0.007 0.0661 0.0661
Trypanosoma cruzi homoserine kinase 0.0166 0.2553 0.2553
Entamoeba histolytica hypothetical protein 0.0071 0.0676 0.0676
Trypanosoma cruzi phosphomevalonate kinase protein, putative 0.007 0.0661 0.0661
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0151 0.0158
Schistosoma mansoni hypothetical protein 0.0068 0.0615 0.0643
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0303 0.0303
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.0151 0.0158
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0166 0.2553 1
Brugia malayi diphosphomevalonate decarboxylase family protein 0.007 0.0661 0.1512
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0041 0.0072 0.2386
Trypanosoma brucei galactokinase-like protein, putative 0.0359 0.6396 1
Schistosoma mansoni mevalonate kinase 0.0166 0.2553 0.2668
Leishmania major mevalonate kinase, putative 0.0166 0.2553 0.2553
Schistosoma mansoni tar DNA-binding protein 0.0257 0.4372 0.4569
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.065 0.065
Brugia malayi hypothetical protein 0.0052 0.0303 0.0692
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.065 0.065
Leishmania major homoserine kinase, putative 0.0166 0.2553 0.2553
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0041 0.0072 0.0165
Schistosoma mansoni tar DNA-binding protein 0.0257 0.4372 0.4569
Trypanosoma cruzi homoserine kinase 0.0166 0.2553 0.2553
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.3831 0.3394
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1239 0.2834
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0041 0.0072 0.0165
Loa Loa (eye worm) TAR-binding protein 0.0257 0.4372 1
Trypanosoma cruzi fucose kinase, putative 0.0095 0.1161 0.1161
Trichomonas vaginalis galactokinase, putative 0.0095 0.1161 0.2722
Echinococcus multilocularis tar DNA binding protein 0.0257 0.4372 0.4372
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0615 0.1408
Schistosoma mansoni tar DNA-binding protein 0.0257 0.4372 0.4569
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0676 0.0707
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.007 0.0661 0.5
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0041 0.0072 0.0169
Brugia malayi galactokinase family protein 0.0252 0.4265 0.9753
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.065 0.1486
Brugia malayi RNA recognition motif domain containing protein 0.0257 0.4372 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1239 0.2834
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0303 1
Trichomonas vaginalis set domain proteins, putative 0.0239 0.4012 0.9408
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0676 0.0676
Echinococcus granulosus transcription factor Dp 1 0.004 0.0068 0.0068
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.0252 0.4265 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.065 0.1486
Giardia lamblia Mevalonate kinase 0.0166 0.2553 1
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0166 0.2553 0.5
Trichomonas vaginalis diphosphomevalonate decarboxylase, putative 0.007 0.0661 0.155
Brugia malayi TAR-binding protein 0.0257 0.4372 1
Schistosoma mansoni hypothetical protein 0.0519 0.9569 1
Mycobacterium ulcerans homoserine kinase 0.0166 0.2553 0.2026
Leishmania major mevalonate-diphosphate decarboxylase, putative 0.007 0.0661 0.0661
Schistosoma mansoni hypothetical protein 0.0041 0.0072 0.0075
Leishmania major hypothetical protein, conserved 0.0052 0.0303 0.0303
Leishmania major phosphomevalonate kinase protein, putative 0.0166 0.2553 0.2553
Loa Loa (eye worm) hypothetical protein 0.0068 0.0615 0.1408
Loa Loa (eye worm) galactokinase 0.0252 0.4265 0.9753
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.0151 0.0346
Brugia malayi RNA binding protein 0.0257 0.4372 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.065 0.0679
Mycobacterium ulcerans galactokinase 0.0541 1 1
Toxoplasma gondii GHMP kinase, putative 0.0166 0.2553 0.5988
Echinococcus multilocularis galactokinase 0.0541 1 1
Trypanosoma cruzi galactokinase, putative 0.0541 1 1
Echinococcus granulosus Mevalonate galactokinase 0.0166 0.2553 0.2553
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.0151 0.0346
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0041 0.0072 0.0165
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0303 0.071
Schistosoma mansoni hypothetical protein 0.0519 0.9569 1
Entamoeba histolytica hypothetical protein 0.0071 0.0676 0.0676
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0151 0.0151
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0041 0.0072 0.2386
Onchocerca volvulus 0.0239 0.4012 1
Loa Loa (eye worm) RNA binding protein 0.0257 0.4372 1
Trichomonas vaginalis conserved hypothetical protein 0.007 0.0661 0.155
Echinococcus granulosus geminin 0.0519 0.9569 0.9569
Brugia malayi Pre-SET motif family protein 0.021 0.3436 0.7859
Schistosoma mansoni tar DNA-binding protein 0.0257 0.4372 0.4569
Trypanosoma cruzi mevalonate-diphosphate decarboxylase, putative 0.007 0.0661 0.0661
Trypanosoma cruzi phosphomevalonate kinase protein, putative 0.007 0.0661 0.0661
Loa Loa (eye worm) hypothetical protein 0.0099 0.1239 0.2834
Schistosoma mansoni diphosphomevalonate decarboxylase 0.007 0.0661 0.0691
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0257 0.4372 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0072 0.0165
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.0151 0.0151
Trypanosoma brucei homoserine kinase 0.0166 0.2553 0.3992
Schistosoma mansoni tar DNA-binding protein 0.0257 0.4372 0.4569
Trichomonas vaginalis galactokinase, putative 0.007 0.0661 0.155

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence. ChEMBL. 22096101
CC50 (functional) = 6.09 uM Huh7 cytotoxicity for Pf inhibitors Novartis-GNF Malaria Box. No reference
CC50 = 6.09 uM NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) ChEMBL. 18579783
EC50 (functional) = 0.064 uM W2 Pf proliferation inhibition Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.064 uM NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
EC50 (functional) = 0.608 uM PF proliferation inhibition 3D7 Novartis-GNF Malaria Box. No reference
EC50 (functional) = 0.608 uM NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay ChEMBL. 18579783
IFI promiscuity index = 0.04054 IFI promiscuity index Novartis-GNF Malaria Box. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 18579783

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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