Detailed information for compound 323429

Basic information

Technical information
  • TDR Targets ID: 323429
  • Name: 1-(3,5-dimethylphenyl)-2-phenethylguanidine
  • MW: 267.369 | Formula: C17H21N3
  • H donors: 2 H acceptors: 0 LogP: 3.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: N=C(Nc1cc(C)cc(c1)C)NCCc1ccccc1
  • InChi: 1S/C17H21N3/c1-13-10-14(2)12-16(11-13)20-17(18)19-9-8-15-6-4-3-5-7-15/h3-7,10-12H,8-9H2,1-2H3,(H3,18,19,20)
  • InChiKey: IXVBLNVRFUTENN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(3,5-dimethylphenyl)-2-phenethyl-guanidine
  • 1-(3,5-dimethylphenyl)-2-(2-phenylethyl)guanidine
  • N-(3,5-Dimethyl-phenyl)-N'-phenethyl-methanetriamine
  • AIDS-222907
  • AIDS222907

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 S-adenosylhomocysteine hydrolase, putative 0.117 1 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0603 0.5083 0.5044
Mycobacterium ulcerans thymidylate synthase 0.0428 0.357 0.2547
Echinococcus multilocularis adenosylhomocysteinase 0.117 1 1
Brugia malayi dihydrofolate reductase family protein 0.0175 0.1372 0.1372
Brugia malayi hypothetical protein 0.0025 0.0078 0.0078
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0257 0.0087
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0428 0.357 0.2547
Plasmodium falciparum adenosylhomocysteinase 0.117 1 1
Onchocerca volvulus 0.0428 0.357 0.5
Mycobacterium tuberculosis Hypothetical protein 0.0204 0.1624 0.0292
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0257 0.0087
Schistosoma mansoni adenosylhomocysteinase 0.0724 0.6134 0.6067
Trichomonas vaginalis adenosylhomocysteinase, putative 0.117 1 1
Echinococcus granulosus thymidylate synthase 0.0428 0.357 0.3457
Loa Loa (eye worm) dihydrofolate reductase 0.0175 0.1372 0.1304
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0603 0.5083 0.5044
Echinococcus granulosus adenosylhomocysteinase 0.117 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0257 0.0087
Schistosoma mansoni adenosylhomocysteinase 0.0724 0.6134 0.6067
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0603 0.5083 0.5044
Brugia malayi hypothetical protein 0.0036 0.0172 0.0172
Echinococcus multilocularis dihydrofolate reductase 0.0175 0.1372 0.1221
Brugia malayi hypothetical protein 0.0204 0.1624 0.1624
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.117 1 1
Echinococcus granulosus geminin 0.017 0.1334 0.1183
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.117 1 1
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.117 1 1
Entamoeba histolytica adenosylhomocysteinase, putative 0.117 1 1
Schistosoma mansoni adenosylhomocysteinase 0.0724 0.6134 0.6067
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.117 1 1
Brugia malayi Dihydrofolate reductase 0.0175 0.1372 0.1372
Echinococcus multilocularis geminin 0.017 0.1334 0.1183
Toxoplasma gondii adenosylhomocysteinase, putative 0.117 1 1
Echinococcus multilocularis thymidylate synthase 0.0428 0.357 0.3457
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0603 0.5083 0.5044
Trichomonas vaginalis adenosylhomocysteinase, putative 0.117 1 1
Loa Loa (eye worm) thymidylate synthase 0.0428 0.357 0.3519
Loa Loa (eye worm) MH2 domain-containing protein 0.012 0.0898 0.0827
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.117 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0257 0.0257
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.117 1 1
Schistosoma mansoni hypothetical protein 0.017 0.1334 0.1183
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0204 0.1624 0.1558
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0257 0.018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0257 0.0087
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0428 0.357 0.3457
Brugia malayi thymidylate synthase 0.0428 0.357 0.357
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0428 0.357 0.2547
Schistosoma mansoni hypothetical protein 0.017 0.1334 0.1183
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0257 0.0087
Schistosoma mansoni adenosylhomocysteinase 0.117 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0257 0.0087
Loa Loa (eye worm) transcription factor SMAD2 0.012 0.0898 0.0827
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0257 0.0087
Chlamydia trachomatis dihydrofolate reductase 0.0175 0.1372 0.5
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0603 0.5083 0.5044
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0603 0.5083 0.5044
Loa Loa (eye worm) adenosylhomocysteinase 0.117 1 1
Leishmania major S-adenosylhomocysteine hydrolase 0.117 1 1
Echinococcus granulosus dihydrofolate reductase 0.0175 0.1372 0.1221
Schistosoma mansoni adenosylhomocysteinase 0.0724 0.6134 0.6067
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.117 1 1
Brugia malayi MH2 domain containing protein 0.012 0.0898 0.0898
Schistosoma mansoni dihydrofolate reductase 0.0175 0.1372 0.1221
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0367 0.3042 0.1693

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 200 uM In vitro inhibitory concentration of the compound against hepatitis C virus internal ribosome entry site (HCV-IRES) translation ChEMBL. 15380215
IC50 (functional) > 200 uM In vitro inhibitory concentration of the compound against non internal ribosome entry site translation ChEMBL. 15380215

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.