Detailed information for compound 1632525

Basic information

Technical information
  • TDR Targets ID: 1632525
  • Name: trimethyl-[(2-methyl-1-phenylpropylidene)amin o]azanium iodide
  • MW: 332.224 | Formula: C13H21IN2
  • H donors: 0 H acceptors: 0 LogP: 4.04 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(/C(=N\[N+](C)(C)C)/c1ccccc1)C.[I-]
  • InChi: 1S/C13H21N2.HI/c1-11(2)13(14-15(3,4)5)12-9-7-6-8-10-12;/h6-11H,1-5H3;1H/q+1;/p-1/b14-13+;
  • InChiKey: JTILJZCFRLRRBT-IERUDJENSA-M  


Substructure search Similarity search

Network

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Synonyms

  • trimethyl-[(2-methyl-1-phenyl-propylidene)amino]ammonium iodide
  • trimethyl-[(2-methyl-1-phenylpropylidene)amino]ammonium iodide
  • trimethyl-[(2-methyl-1-phenyl-propylidene)amino]azanium iodide
  • 56062-73-8
  • NSC138617

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 multilocularis Upstream activation factor subunit UAF30 0.0817 0.3749 0.3739
Toxoplasma gondii ran binding protein 0.0291 0.1161 0.3069
Onchocerca volvulus Apolipophorins homolog 0.1185 0.5558 1
Schistosoma mansoni hypothetical protein 0.0817 0.3749 0.3739
Echinococcus multilocularis zinc finger protein Ran binding 0.0291 0.1161 0.1148
Loa Loa (eye worm) hypothetical protein 0.0291 0.1161 0.1161
Schistosoma mansoni hypothetical protein 0.0817 0.3749 0.3739
Loa Loa (eye worm) brahma associated protein 0.0817 0.3749 0.3749
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0291 0.1161 1
Giardia lamblia UDP-glucose 4-epimerase 0.0089 0.0169 0.5
Plasmodium vivax hypothetical protein, conserved 0.0817 0.3749 1
Schistosoma mansoni hypothetical protein 0.2088 1 1
Echinococcus granulosus UDP glucose 4 epimerase 0.0085 0.0152 0.0137
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0085 0.0152 0.5
Toxoplasma gondii UDP-glucose 4-epimerase 0.0085 0.0152 0.0367
Loa Loa (eye worm) hypothetical protein 0.0291 0.1161 0.1161
Schistosoma mansoni hypothetical protein 0.0817 0.3749 0.3739
Leishmania major hypothetical protein, conserved 0.0291 0.1161 1
Loa Loa (eye worm) hypothetical protein 0.0291 0.1161 0.1161
Brugia malayi YY1-associated factor 2 0.0291 0.1161 0.3097
Schistosoma mansoni fusion 0.0291 0.1161 0.1148
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0291 0.1161 0.3097
Loa Loa (eye worm) hypothetical protein 0.0291 0.1161 0.1161
Mycobacterium leprae HOLO-[ACYL-CARRIER PROTEIN] SYNTHASE ACPS (HOLO-ACP SYNTHASE) (CoA:APO-[ACP]PANTETHEINEPHOSPHOTRANSFERASE) (CoA:APO-[ACYL-CARRIE 0.0087 0.0161 0.5
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0291 0.1161 1
Leishmania major hypothetical protein, conserved 0.0291 0.1161 1
Trypanosoma cruzi hypothetical protein, conserved 0.0291 0.1161 1
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0109 0.0267 1
Echinococcus multilocularis ring and YY1 binding protein 0.0291 0.1161 0.1148
Onchocerca volvulus 0.0817 0.3749 0.5884
Echinococcus granulosus zinc finger protein Ran binding 0.0291 0.1161 0.1148
Schistosoma mansoni zinc finger protein 0.0291 0.1161 0.1148
Schistosoma mansoni RNA binding protein 0.0291 0.1161 0.1148
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.0817 0.3749 0.3749
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0291 0.1161 1
Schistosoma mansoni TRABID protein (C64 family) 0.0291 0.1161 0.1148
Schistosoma mansoni UDP-glucose 4-epimerase 0.0085 0.0152 0.0137
Schistosoma mansoni hypothetical protein 0.0291 0.1161 0.1148
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0291 0.1161 0.1148
Schistosoma mansoni brg-1 associated factor 0.0817 0.3749 0.3739
Leishmania major udp-glc 4-epimerase, putative 0.0089 0.0169 0.1344
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0817 0.3749 1
Brugia malayi SWIB/MDM2 domain containing protein 0.0817 0.3749 1
Echinococcus granulosus ring and YY1 binding protein 0.0291 0.1161 0.1148
Trypanosoma cruzi WLM domain containing protein, putative 0.0291 0.1161 1
Trypanosoma cruzi hypothetical protein, conserved 0.0291 0.1161 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0291 0.1161 0.3097
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0109 0.0267 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0291 0.1161 1
Echinococcus multilocularis microsomal triglyceride transfer protein large 0.2088 1 1
Brugia malayi UDP galactose 4'-epimerase 0.0085 0.0152 0.0405
Loa Loa (eye worm) hypothetical protein 0.0291 0.1161 0.1161
Leishmania major hypothetical protein, conserved 0.0291 0.1161 1
Echinococcus multilocularis UDP glucose 4 epimerase 0.0085 0.0152 0.0137
Echinococcus granulosus SWI:SNF matrix associated 0.0817 0.3749 0.3739
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0291 0.1161 0.1148
Echinococcus multilocularis SWI:SNF matrix associated 0.0817 0.3749 0.3739
Plasmodium falciparum zinc finger Ran-binding domain-containing protein 2, putative 0.0291 0.1161 0.2567
Brugia malayi brahma associated protein 60 kDa 0.0817 0.3749 1
Trypanosoma cruzi hypothetical protein, conserved 0.0291 0.1161 1
Echinococcus multilocularis Lipid transport protein, N terminal 0.1185 0.5558 0.5552
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.0817 0.3749 1
Trypanosoma brucei Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0291 0.1161 1
Chlamydia trachomatis DNA topoisomerase I 0.0817 0.3749 1
Leishmania major hypothetical protein, conserved 0.0291 0.1161 1
Trichomonas vaginalis conserved hypothetical protein 0.0817 0.3749 1
Loa Loa (eye worm) hypothetical protein 0.2088 1 1
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.0817 0.3749 1
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0085 0.0152 0.0152
Echinococcus multilocularis SWI:SNF matrix associated 0.0817 0.3749 0.3739
Trypanosoma brucei hypothetical protein, conserved 0.0291 0.1161 1
Brugia malayi brahma associated protein 60 kDa 0.0817 0.3749 1
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0109 0.0267 0.5
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0291 0.1161 0.3097
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.0817 0.3749 1
Chlamydia trachomatis SWIB complex protein 0.0817 0.3749 1
Echinococcus multilocularis SWI:SNF matrix associated 0.0817 0.3749 0.3739
Echinococcus granulosus Zinc finger RanBP2 type 0.0291 0.1161 0.1148
Trypanosoma brucei hypothetical protein, conserved 0.0291 0.1161 1
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0291 0.1161 0.3069
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0291 0.1161 1
Echinococcus granulosus Lipid transport protein N terminal 0.1185 0.5558 0.5552
Echinococcus granulosus Upstream activation factor subunit UAF30 0.0817 0.3749 0.3739
Leishmania major hypothetical protein, conserved 0.0291 0.1161 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0109 0.0267 1
Trypanosoma cruzi WLM domain containing protein, putative 0.0291 0.1161 1
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0291 0.1161 0.3097
Trypanosoma brucei mitochondrial RNA binding complex 1 subunit 0.0291 0.1161 1
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0291 0.1161 0.1148
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.0817 0.3749 1
Loa Loa (eye worm) hypothetical protein 0.1185 0.5558 0.5558

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.159 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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