Detailed information for compound 68181

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 139.198 | Formula: C7H13N3
  • H donors: 1 H acceptors: 1 LogP: -0.33 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCc1ncn(c1)CC
  • InChi: 1S/C7H13N3/c1-2-10-5-7(3-4-8)9-6-10/h5-6H,2-4,8H2,1H3
  • InChiKey: LIXGKSRWGHVUHT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0646 0.1947 0.3388
Onchocerca volvulus 0.0646 0.1947 0.2732
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0646 0.1947 0.3388
Schistosoma mansoni nuclear receptor 0.0256 0.0686 0.2442
Echinococcus granulosus nuclear receptor nhr 48 0.0256 0.0686 0.2488
Echinococcus granulosus Nuclear hormone receptor HR96 0.0256 0.0686 0.2488
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0092 0.0366
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0256 0.0686 0.0257
Trypanosoma brucei Aph-1 protein, putative 0.0228 0.0595 0.9136
Brugia malayi hypothetical protein 0.0256 0.0686 0.1136
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0256 0.0686 0.1136
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0646 0.1947 0.7057
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.015 0.0344 0.1248
Onchocerca volvulus 0.0256 0.0686 0.0257
Brugia malayi ecdysone receptor 0.0256 0.0686 0.1136
Echinococcus multilocularis Nicastrin 0.012 0.0245 0.097
Brugia malayi Presenilin spe-4 0.0086 0.0136 0.0153
Brugia malayi Nuclear hormone receptor-like 1 0.0646 0.1947 0.3388
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0646 0.1947 0.3388
Loa Loa (eye worm) hypothetical protein 0.039 0.1118 0.1908
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0646 0.1947 0.3388
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0646 0.1947 0.7057
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0256 0.0686 0.0257
Mycobacterium ulcerans short chain dehydrogenase 0.3137 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0256 0.0686 0.2719
Schistosoma mansoni nuclear hormone receptor 0.0256 0.0686 0.2442
Loa Loa (eye worm) hypothetical protein 0.0256 0.0686 0.1136
Brugia malayi nuclear hormone receptor family member nhr-6 0.0256 0.0686 0.1136
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0646 0.1947 0.3388
Brugia malayi hypothetical protein 0.0086 0.0136 0.0153
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0256 0.0686 0.2442
Brugia malayi Nuclear hormone receptor E75 0.0256 0.0686 0.1136
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0092 0.0183
Loa Loa (eye worm) hypothetical protein 0.0646 0.1947 0.3388
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0256 0.0686 0.2719
Brugia malayi nuclear hormone receptor 0.0256 0.0686 0.1136
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0646 0.1947 0.7625
Loa Loa (eye worm) hypothetical protein 0.0256 0.0686 0.1136
Echinococcus granulosus presenilin 0.0246 0.0652 0.2363
Schistosoma mansoni RAR-like nuclear receptor 0.0646 0.1947 0.7625
Brugia malayi hypothetical protein 0.012 0.0245 0.0347
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0646 0.1947 0.7057
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0246 0.0652 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0256 0.0686 0.2442
Toxoplasma gondii hypothetical protein 0.0086 0.0136 1
Brugia malayi hypothetical protein 0.0086 0.0136 0.0153
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.023 0.0603 0.0987
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0374 0.1067 0.4228
Brugia malayi Nuclear hormone receptor-like 1 0.039 0.1118 0.1908
Brugia malayi nuclear receptor NHR-67 0.0256 0.0686 0.1136
Brugia malayi steroid hormone receptor 0.1287 0.4019 0.709
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.039 0.1118 0.1908
Brugia malayi nuclear receptor NHR-88 0.0646 0.1947 0.3388
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0256 0.0686 0.2488
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0092 0.1936
Loa Loa (eye worm) hypothetical protein 0.0646 0.1947 0.3388
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0646 0.1947 0.3388
Schistosoma mansoni retinoic acid receptor RXR 0.0764 0.2328 0.9192
Schistosoma mansoni zinc finger protein 0.0256 0.0686 0.2442
Brugia malayi Presenilin spe-4 0.0086 0.0136 0.0153
Brugia malayi Presenilin family protein 0.0246 0.0652 0.1074
Brugia malayi nuclear receptor RXR 0.0256 0.0686 0.1136
Brugia malayi nuclear hormone receptor 0.0646 0.1947 0.3388
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0092 0.0335
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0646 0.1947 0.7057
Schistosoma mansoni thyroid hormone receptor 0.0796 0.2433 0.9626
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0246 0.0652 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0646 0.1947 0.3388
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0646 0.1947 0.3388
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.0069 0.0082 0.1259
Echinococcus granulosus Nicastrin 0.012 0.0245 0.0887
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0646 0.1947 0.7712
Entamoeba histolytica presenilin 1 peptidase, putative 0.0246 0.0652 1
Trypanosoma cruzi Aph-1 protein, putative 0.0228 0.0595 0.9136
Loa Loa (eye worm) hypothetical protein 0.0646 0.1947 0.3388
Loa Loa (eye worm) hypothetical protein 0.0216 0.0555 0.0902
Loa Loa (eye worm) hypothetical protein 0.0256 0.0686 0.1136
Loa Loa (eye worm) hypothetical protein 0.1791 0.5647 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.039 0.1118 0.4219
Brugia malayi conserved hypotetical protein 0.0256 0.0686 0.1136
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0646 0.1947 0.7712
Echinococcus multilocularis presenilin enhancer 2 0.023 0.0603 0.2389
Loa Loa (eye worm) hypothetical protein 0.012 0.0245 0.0347
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0646 0.1947 0.3388
Brugia malayi hypothetical protein 0.012 0.0245 0.0347
Trypanosoma cruzi Aph-1 protein, putative 0.0228 0.0595 0.9136
Brugia malayi hypothetical protein 0.0086 0.0136 0.0153
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0646 0.1947 0.7625
Schistosoma mansoni nuclear hormone receptor 0.0646 0.1947 0.7625
Loa Loa (eye worm) hypothetical protein 0.0256 0.0686 0.1136
Onchocerca volvulus 0.0256 0.0686 0.0257
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0256 0.0686 0.1136
Loa Loa (eye worm) nuclear receptor NHR-67 0.0256 0.0686 0.1136
Echinococcus multilocularis FTZ F1 alpha 0.0646 0.1947 0.7712
Brugia malayi nuclear receptor NHR-88 0.0256 0.0686 0.1136
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0585 0.1751 0.3038
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0646 0.1947 0.2732
Loa Loa (eye worm) hypothetical protein 0.039 0.1118 0.1908
Echinococcus granulosus gamma secretase subunit aph 1 0.0585 0.1751 0.6347
Loa Loa (eye worm) steroid hormone receptor 0.1287 0.4019 0.709
Echinococcus granulosus FTZ F1 alpha 0.0646 0.1947 0.7057
Brugia malayi Steroid receptor seven-up type 2 0.0646 0.1947 0.3388
Echinococcus multilocularis thyroid hormone receptor alpha 0.0796 0.2433 0.9639
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0646 0.1947 0.7625
Loa Loa (eye worm) DR-78 0.0256 0.0686 0.1136
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0646 0.1947 0.7625
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0246 0.0652 1
Brugia malayi Nuclear hormone receptor E75 0.0256 0.0686 0.1136
Loa Loa (eye worm) hypothetical protein 0.0256 0.0686 0.1136
Brugia malayi Presenilin spe-4 0.0086 0.0136 0.0153
Schistosoma mansoni hypothetical protein 0.012 0.0245 0.0626
Loa Loa (eye worm) hypothetical protein 0.0646 0.1947 0.3388
Brugia malayi hypothetical protein 0.039 0.1118 0.1908
Echinococcus granulosus microtubule associated protein 2 0.0825 0.2524 0.9151
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0246 0.0652 1
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0246 0.0652 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0256 0.0686 0.1136
Schistosoma mansoni coup transcription factor 0.0646 0.1947 0.7625
Schistosoma mansoni microtubule-associated protein tau 0.0825 0.2524 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0646 0.1947 0.2732
Brugia malayi ecdysteroid receptor 0.1791 0.5647 1
Loa Loa (eye worm) hypothetical protein 0.039 0.1118 0.1908
Brugia malayi nuclear receptor RXR 0.039 0.1118 0.1908
Schistosoma mansoni steroid hormone receptor ad4bp 0.0646 0.1947 0.7625
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0646 0.1947 0.3388
Loa Loa (eye worm) hypothetical protein 0.0256 0.0686 0.1136
Loa Loa (eye worm) hypothetical protein 0.0646 0.1947 0.3388
Loa Loa (eye worm) hypothetical protein 0.039 0.1118 0.1908
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0646 0.1947 0.3388
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0646 0.1947 0.7625
Echinococcus multilocularis ecdysone induced protein 78C 0.0646 0.1947 0.7712
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0646 0.1947 0.3388
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.015 0.0344 0.1364
Brugia malayi tailless protein 0.0256 0.0686 0.1136
Loa Loa (eye worm) nuclear hormone receptor 0.0256 0.0686 0.1136
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.039 0.1118 0.4219
Brugia malayi hypothetical protein 0.039 0.1118 0.1908
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0646 0.1947 0.7057
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0646 0.1947 0.3388
Echinococcus granulosus Nuclear hormone receptor HR96 0.0256 0.0686 0.2488
Loa Loa (eye worm) hypothetical protein 0.0256 0.0686 0.1136
Schistosoma mansoni gamma-secretase subunit aph-1 0.0585 0.1751 0.6819
Brugia malayi photoreceptor-specific nuclear receptor 0.0646 0.1947 0.3388
Loa Loa (eye worm) hypothetical protein 0.039 0.1118 0.1908
Brugia malayi N-terminal motif family protein 0.0216 0.0555 0.0902
Loa Loa (eye worm) hypothetical protein 0.0256 0.0686 0.1136
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0246 0.0652 1
Schistosoma mansoni nuclear receptor nhr-48 0.0256 0.0686 0.2442
Brugia malayi orphan nuclear receptor NR2E1 0.0256 0.0686 0.1136
Brugia malayi gamma-secretase subunit aph-1 0.0585 0.1751 0.3038
Loa Loa (eye worm) hypothetical protein 0.0256 0.0686 0.1136
Echinococcus multilocularis nuclear receptor nhr 48 0.0256 0.0686 0.2719
Schistosoma mansoni hypothetical protein 0.015 0.0344 0.1036
Loa Loa (eye worm) hypothetical protein 0.0256 0.0686 0.1136
Brugia malayi Nuclear hormone receptor-like 1 0.039 0.1118 0.1908
Echinococcus multilocularis gamma secretase subunit aph 1 0.0585 0.1751 0.6935
Brugia malayi gamma-secretase subunit pen-2 0.023 0.0603 0.0987
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0646 0.1947 0.7057
Echinococcus multilocularis Nicastrin 0.012 0.0245 0.097
Loa Loa (eye worm) hypothetical protein 0.0256 0.0686 0.1136
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0764 0.2328 0.8438
Schistosoma mansoni nuclear receptor 0.0256 0.0686 0.2442
Echinococcus granulosus ecdysone induced protein 78C 0.0646 0.1947 0.7057
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0646 0.1947 0.3388
Loa Loa (eye worm) hypothetical protein 0.0256 0.0686 0.1136
Brugia malayi Presenilin-like protein At2g29900 0.0086 0.0136 0.0153
Brugia malayi hypothetical protein 0.0256 0.0686 0.1136
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0646 0.1947 0.3388
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.039 0.1118 0.4054
Schistosoma mansoni nuclear hormone receptor 0.0256 0.0686 0.2442
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0246 0.0652 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0646 0.1947 0.7712
Onchocerca volvulus Bile acid receptor homolog 0.1791 0.5647 1
Loa Loa (eye worm) hypothetical protein 0.0646 0.1947 0.3388
Echinococcus granulosus thyroid hormone receptor alpha 0.0897 0.2758 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0646 0.1947 0.7712
Loa Loa (eye worm) presenilin spe-4 0.0086 0.0136 0.0153
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0646 0.1947 0.3388
Echinococcus multilocularis microtubule associated protein 2 0.0825 0.2524 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0646 0.1947 0.7625
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0646 0.1947 0.7712
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0646 0.1947 0.3388
Schistosoma mansoni thyroid hormone receptor 0.0796 0.2433 0.9626
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0256 0.0686 0.2488
Echinococcus multilocularis presenilin 0.0246 0.0652 0.2582
Loa Loa (eye worm) hypothetical protein 0.0646 0.1947 0.3388
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.039 0.1118 0.443
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0256 0.0686 0.2719
Loa Loa (eye worm) hypothetical protein 0.0256 0.0686 0.1136
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0646 0.1947 0.3388
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0256 0.0686 0.2719
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0246 0.0652 0.23
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0646 0.1947 0.7712
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0646 0.1947 0.3388
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0646 0.1947 0.3388
Echinococcus granulosus presenilin enhancer 2 0.023 0.0603 0.2186

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 500 uM In vitro for antimalarial activity against chloroquine sensitive Plasmodium falciparum strain ChEMBL. 12067541
IC50 (functional) > 500 uM In vitro for antimalarial activity against chloroquine sensitive Plasmodium falciparum strain ChEMBL. 12067541

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

No external resources registered 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.