Detailed information for compound 171400

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 174.242 | Formula: C11H14N2
  • H donors: 0 H acceptors: 1 LogP: 2.42 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(nc1)N1C2CCC1CC2
  • InChi: 1S/C11H14N2/c1-2-8-12-11(3-1)13-9-4-5-10(13)7-6-9/h1-3,8-10H,4-7H2
  • InChiKey: YOAMNICQXAJQJO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Entamoeba histolytica tartrate dehydrogenase, putative 0.0042 0.06 0.272
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0348 1 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0348 1 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0363 0.0363
Echinococcus granulosus expressed conserved protein 0.0089 0.203 0.173
Entamoeba histolytica hypothetical protein 0.0034 0.0362 0.1641
Brugia malayi beta-lactamase 0.0035 0.0363 0.0363
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0363 0.0059
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0096 0.2251 0.2006
Loa Loa (eye worm) hypothetical protein 0.0041 0.0547 0.0547
Brugia malayi Probable isocitrate dehydrogenase 0.0042 0.06 0.06
Mycobacterium tuberculosis Conserved protein 0.0035 0.0363 0.0363
Mycobacterium ulcerans beta-lactamase 0.0035 0.0363 0.6049
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0363 0.0001
Mycobacterium tuberculosis Conserved protein 0.0035 0.0363 0.0363
Loa Loa (eye worm) hypothetical protein 0.0042 0.06 0.06
Brugia malayi CHE-14 protein 0.0041 0.0547 0.0547
Schistosoma mansoni hypothetical protein 0.0039 0.0502 0.0202
Echinococcus multilocularis protein patched 0.0041 0.0547 0.0192
Schistosoma mansoni hypothetical protein 0.0039 0.0502 0.0202
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0042 0.06 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0042 0.06 0.0247
Schistosoma mansoni transcription factor LCR-F1 0.0034 0.0362 0.0058
Loa Loa (eye worm) hypothetical protein 0.0035 0.0363 0.0363
Brugia malayi Isocitrate dehydrogenase 0.0348 1 1
Onchocerca volvulus 0.0035 0.0363 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0094 0.2206 0.2206
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0547 0.0192
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0363 0.0363
Brugia malayi hypothetical protein 0.0034 0.0362 0.0362
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0221 0.6089 0.6089
Brugia malayi beta-lactamase family protein 0.0035 0.0363 0.0363
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0363 0.6049
Mycobacterium leprae Probable lipase LipE 0.0035 0.0363 0.6049
Loa Loa (eye worm) hypothetical protein 0.0033 0.0306 0.0306
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0772 0.0772
Loa Loa (eye worm) beta-lactamase 0.0035 0.0363 0.0363
Loa Loa (eye worm) hypothetical protein 0.0094 0.2206 0.2206
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0348 1 1
Mycobacterium tuberculosis Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) 0.0042 0.06 0.06
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0042 0.06 0.0247
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0772 0.0772
Schistosoma mansoni hypothetical protein 0.0034 0.0362 0.0058
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0348 1 0.5
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0363 0.0363
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0363 0.6049
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0363 0.0059
Loa Loa (eye worm) hypothetical protein 0.005 0.0828 0.0828
Entamoeba histolytica hypothetical protein 0.0034 0.0362 0.1641
Loa Loa (eye worm) hypothetical protein 0.0035 0.0363 0.0363
Echinococcus multilocularis protein dispatched 1 0.0046 0.0723 0.0375
Brugia malayi Probable isocitrate dehydrogenase 0.0042 0.06 0.06
Leishmania major hypothetical protein, conserved 0.0035 0.0363 0.0363
Entamoeba histolytica hypothetical protein 0.0034 0.0362 0.1641
Toxoplasma gondii isocitrate dehydrogenase 0.0348 1 1
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0363 0.0363
Schistosoma mansoni hypothetical protein 0.0039 0.0502 0.0202
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0042 0.06 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0363 0.0001
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0042 0.06 0.06
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0042 0.06 0.0247
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0348 1 1
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0042 0.06 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0348 1 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0348 1 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0363 0.6049
Echinococcus granulosus geminin 0.0162 0.4301 0.4087
Loa Loa (eye worm) hypothetical protein 0.0035 0.0363 0.0363
Toxoplasma gondii isocitrate dehydrogenase 0.0348 1 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0094 0.2206 0.1913
Echinococcus multilocularis geminin 0.0162 0.4301 0.4087
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0042 0.06 0.0303
Echinococcus granulosus Niemann Pick C1 protein 0.0135 0.3453 0.3207
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0363 0.0363
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0363 0.0363
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0094 0.2206 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0348 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0363 0.0363
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0348 1 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0363 0.0363
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0547 0.0547
Loa Loa (eye worm) hypothetical protein 0.0035 0.0363 0.0363
Brugia malayi beta-lactamase family protein 0.0035 0.0363 0.0363
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0042 0.06 1
Echinococcus granulosus Niemann Pick C1 protein 0.0094 0.2206 0.1913
Leishmania major isocitrate dehydrogenase, putative 0.0042 0.06 0.06
Entamoeba histolytica hypothetical protein 0.0034 0.0362 0.1641
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0042 0.06 0.06
Schistosoma mansoni isocitrate dehydrogenase 0.0042 0.06 0.0303
Onchocerca volvulus 0.0035 0.0363 1
Schistosoma mansoni patched 1 0.0041 0.0547 0.0249
Onchocerca volvulus 0.0035 0.0363 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0363 0.0363
Echinococcus multilocularis Niemann Pick C1 protein 0.0135 0.3453 0.3207
Schistosoma mansoni hypothetical protein 0.0162 0.4301 0.4121
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0042 0.06 0.06
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0348 1 1
Echinococcus multilocularis expressed conserved protein 0.0089 0.203 0.173
Loa Loa (eye worm) hypothetical protein 0.0048 0.0772 0.0772
Echinococcus multilocularis isocitrate dehydrogenase 0.0348 1 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0348 1 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0363 0.0363
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0547 0.0192
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0348 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0348 1 1
Schistosoma mansoni hypothetical protein 0.0039 0.0502 0.0202
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0547 0.7776
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0042 0.06 0.06
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0772 0.0772
Schistosoma mansoni unc-13 (munc13) 0.0042 0.06 0.0303
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0547 0.0192
Mycobacterium ulcerans lipase LipD 0.0035 0.0363 0.6049
Loa Loa (eye worm) hypothetical protein 0.0035 0.0363 0.0363
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0348 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0348 1 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0363 0.0363
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0306 0.0306
Schistosoma mansoni hypothetical protein 0.0162 0.4301 0.4121
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0363 0.6049
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0042 0.06 0.0247

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) < 50 % In vitro inhibition of [3H]-Cytisine binding in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2 at 100 microM ChEMBL. 12086489
Inhibition (binding) < 50 % In vitro inhibition of [3H]-Cytisine binding in rat brain tissue at Nicotinic acetylcholine receptor alpha4-beta2 at 100 microM ChEMBL. 12086489

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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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