Detailed information for compound 68180

Basic information

Technical information
  • TDR Targets ID: 68180
  • Name: 2-(1-propan-2-ylimidazol-4-yl)ethanamine
  • MW: 153.225 | Formula: C8H15N3
  • H donors: 1 H acceptors: 1 LogP: 0.07 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCc1ncn(c1)C(C)C
  • InChi: 1S/C8H15N3/c1-7(2)11-5-8(3-4-9)10-6-11/h5-7H,3-4,9H2,1-2H3
  • InChiKey: NRWPBTLQVZIEGO-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(1-isopropylimidazol-4-yl)ethanamine
  • 2-(1-isopropyl-4-imidazolyl)ethanamine
  • 2-(1-isopropylimidazol-4-yl)ethylamine
  • Histamine, 1-isopropyl-

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
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0609813 0.121174 0.622193
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0356924 0.0204785 0.105441
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0609813 0.121174 0.641187
Schistosoma mansoni RAR-like nuclear receptor 0.0609813 0.121174 0.622193
Echinococcus granulosus thyroid hormone receptor alpha 0.108557 0.310611 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0609813 0.121174 0.234822
Schistosoma mansoni retinoic acid receptor RXR 0.072762 0.168083 0.884979
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0330884 0.0101098 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0609813 0.121174 0.641187
Brugia malayi Nuclear hormone receptor-like 1 0.0370696 0.0259625 0.0493012
Brugia malayi nuclear receptor NHR-88 0.0609813 0.121174 0.234822
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0330884 0.0101098 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0609813 0.121174 0.388816
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0370696 0.0259625 0.088808
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0609813 0.121174 0.234822
Schistosoma mansoni thyroid hormone receptor 0.0609813 0.121174 0.622193
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0609813 0.121174 0.641187
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0330884 0.0101098 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0609813 0.121174 0.234822
Brugia malayi hypothetical protein 0.0370696 0.0259625 0.0493012
Echinococcus granulosus gamma secretase subunit aph 1 0.0779184 0.188615 0.6064
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0609813 0.121174 0.234822
Loa Loa (eye worm) hypothetical protein 0.0609813 0.121174 0.234822
Schistosoma mansoni coup transcription factor 0.0609813 0.121174 0.622193
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0609813 0.121174 0.622193
Entamoeba histolytica presenilin 1 peptidase, putative 0.0330884 0.0101098 0.5
Loa Loa (eye worm) hypothetical protein 0.0609813 0.121174 0.234822
Schistosoma mansoni gamma-secretase subunit aph-1 0.0779184 0.188615 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0609813 0.121174 0.641187
Echinococcus granulosus FTZ F1 alpha 0.0609813 0.121174 0.388816
Onchocerca volvulus Bile acid receptor homolog 0.159604 0.513872 1
Echinococcus granulosus ecdysone induced protein 78C 0.0609813 0.121174 0.388816
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0609813 0.121174 0.234822
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0609813 0.121174 0.234822
Brugia malayi Nuclear hormone receptor-like 1 0.0609813 0.121174 0.234822
Echinococcus granulosus presenilin 0.0330884 0.0101098 0.0304865
Brugia malayi Steroid receptor seven-up type 2 0.0609813 0.121174 0.234822
Loa Loa (eye worm) hypothetical protein 0.0609813 0.121174 0.234822
Loa Loa (eye worm) hypothetical protein 0.0609813 0.121174 0.234822
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0779184 0.188615 0.366231
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0609813 0.121174 0.388816
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0609813 0.121174 0.641187
Schistosoma mansoni nuclear hormone receptor 0.0609813 0.121174 0.622193
Echinococcus granulosus retinoic acid receptor rxr beta a 0.072762 0.168083 0.540158
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0609813 0.121174 0.622193
Brugia malayi Nuclear hormone receptor-like 1 0.0370696 0.0259625 0.0493012
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0609813 0.121174 0.234822
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0330884 0.0101098 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0609813 0.121174 0.234822
Brugia malayi nuclear receptor RXR 0.0370696 0.0259625 0.0493012
Schistosoma mansoni thyroid hormone receptor 0.0609813 0.121174 0.622193
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0370696 0.0259625 0.0816322
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0609813 0.121174 0.234822
Brugia malayi steroid hormone receptor 0.145627 0.458215 0.891552
Brugia malayi Presenilin family protein 0.0330884 0.0101098 0.0184121
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0609813 0.121174 0.234822
Mycobacterium tuberculosis Probable oxidoreductase 0.281692 1 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0609813 0.121174 0.388816
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0609813 0.121174 0.622193
Echinococcus multilocularis presenilin 0.0330884 0.0101098 0.0502746
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0609813 0.121174 0.234822
Loa Loa (eye worm) hypothetical protein 0.0370696 0.0259625 0.0493012
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0609813 0.121174 0.234822
Loa Loa (eye worm) hypothetical protein 0.0609813 0.121174 0.234822
Schistosoma mansoni steroid hormone receptor ad4bp 0.0609813 0.121174 0.622193
Brugia malayi ecdysteroid receptor 0.159604 0.513872 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0609813 0.121174 0.641187
Loa Loa (eye worm) hypothetical protein 0.0609813 0.121174 0.234822
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0609813 0.121174 0.234822
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0330884 0.0101098 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0609813 0.121174 0.234822
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0609813 0.121174 0.234822
Loa Loa (eye worm) hypothetical protein 0.0370696 0.0259625 0.0493012
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0370696 0.0259625 0.088808
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0609813 0.121174 0.641187
Echinococcus multilocularis thyroid hormone receptor alpha 0.0609813 0.121174 0.641187
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0370696 0.0259625 0.0493012
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0330884 0.0101098 1
Brugia malayi gamma-secretase subunit aph-1 0.0779184 0.188615 0.366231
Mycobacterium ulcerans short chain dehydrogenase 0.281692 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0609813 0.121174 0.234822
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0609813 0.121174 0.234822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0609813 0.121174 0.234822
Brugia malayi nuclear hormone receptor 0.0609813 0.121174 0.234822
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0609813 0.121174 0.234822
Loa Loa (eye worm) hypothetical protein 0.159604 0.513872 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0609813 0.121174 0.622193
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0330884 0.0101098 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0609813 0.121174 0.622193
Brugia malayi photoreceptor-specific nuclear receptor 0.0609813 0.121174 0.234822
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0609813 0.121174 0.641187
Loa Loa (eye worm) hypothetical protein 0.0370696 0.0259625 0.0493012
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0609813 0.121174 0.388816
Loa Loa (eye worm) hypothetical protein 0.0370696 0.0259625 0.0493012
Loa Loa (eye worm) steroid hormone receptor 0.145627 0.458215 0.891552
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0609813 0.121174 0.388816
Brugia malayi hypothetical protein 0.0370696 0.0259625 0.0493012
Echinococcus multilocularis gamma secretase subunit aph 1 0.0779184 0.188615 1
Loa Loa (eye worm) hypothetical protein 0.0609813 0.121174 0.234822
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0609813 0.121174 0.234822
Loa Loa (eye worm) hypothetical protein 0.0370696 0.0259625 0.0493012
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0370696 0.0259625 0.134618
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0609813 0.121174 0.388816

Activities

Activity type Activity value Assay description Source Reference
Dose (functional) = 100 mg kg-1 In vivo antimalarial activity of compound against Plasmodium berghei infected in mice model. Compound active at given dose. ChEMBL. 12067541
Dose (functional) = 100 mg kg-1 In vivo antimalarial activity of compound against Plasmodium berghei infected in mice model. Compound active at given dose. ChEMBL. 12067541
IC50 (functional) = 9.6 uM In vitro for antimalarial activity against chloroquine sensitive Plasmodium falciparum strain ChEMBL. 12067541
IC50 (functional) = 9.6 uM In vitro for antimalarial activity against chloroquine sensitive Plasmodium falciparum strain ChEMBL. 12067541
IC50 (functional) = 10.4 uM Compound was evaluated in vitro for antimalarial activity against chloroquine resistant Plasmodium falciparum strain ChEMBL. 12067541
IC50 (functional) = 10.4 uM Compound was evaluated in vitro for antimalarial activity against chloroquine resistant Plasmodium falciparum strain ChEMBL. 12067541

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 12067541

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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