Detailed information for compound 1105644

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 274.36 | Formula: C19H18N2
  • H donors: 1 H acceptors: 1 LogP: 4.79 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1[nH]c(nc1C)c1cccc(c1)/C=C/c1ccccc1
  • InChi: 1S/C19H18N2/c1-14-15(2)21-19(20-14)18-10-6-9-17(13-18)12-11-16-7-4-3-5-8-16/h3-13H,1-2H3,(H,20,21)/b12-11+
  • InChiKey: OMHSTVRDTWTYAU-VAWYXSNFSA-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
Brugia malayi glutathione reductase 0.0083 0.0837 0.0777
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0172 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0211 0.2651 0.8945
Loa Loa (eye worm) voltage-dependent calcium channel beta 2a subunit 0.0319 0.4183 0.4183
Loa Loa (eye worm) hypothetical protein 0.0055 0.0436 0.0436
Toxoplasma gondii NADPH-glutathione reductase 0.0029 0.0065 0.0779
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0172 0.0371
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0172 1
Echinococcus multilocularis importin subunit beta 1 0.0029 0.007 0.001
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0037 0.0185 0.2207
Echinococcus granulosus importin subunit beta 1 0.0029 0.007 0.0051
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.007 0.0832
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0172 0.0371
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0436 0.0373
Schistosoma mansoni sodium/solute symporter 0.0037 0.0185 0.0272
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0172 0.0126
Mycobacterium ulcerans hypothetical protein 0.0036 0.0172 1
Echinococcus granulosus high affinity choline transporter 1 0.0338 0.445 1
Mycobacterium ulcerans beta-lactamase 0.0036 0.0172 1
Schistosoma mansoni high-affinity choline transporter 0.0338 0.445 1
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0172 0.0371
Loa Loa (eye worm) glutathione reductase 0.0083 0.0837 0.0837
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0079 0.0779 0.1662
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0079 0.0779 0.1628
Brugia malayi Importin beta-1 subunit 0.0029 0.007 0.0004
Schistosoma mansoni hypothetical protein 0.0331 0.435 0.9773
Echinococcus granulosus high voltage activated calcium channel beta 0.0155 0.1853 0.4101
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0172 0.0371
Loa Loa (eye worm) calcium channel 0.0079 0.0779 0.0779
Brugia malayi beta-lactamase family protein 0.0036 0.0172 0.0108
Treponema pallidum NADH oxidase 0.0029 0.0065 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0172 0.0172
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0233 0.2956 1
Brugia malayi GH02984p 0.0338 0.445 0.4413
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0079 0.0779 0.1662
Trypanosoma cruzi trypanothione reductase, putative 0.0029 0.0065 0.0018
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0172 1
Echinococcus multilocularis voltage dependent calcium channel 0.0079 0.0779 0.1628
Loa Loa (eye worm) hypothetical protein 0.0036 0.0172 0.0172
Toxoplasma gondii ABC1 family protein 0.0036 0.0172 0.206
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0172 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0172 0.0371
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0172 0.0126
Leishmania major trypanothione reductase 0.0083 0.0837 0.0777
Mycobacterium tuberculosis Probable oxidoreductase 0.0211 0.2651 0.8945
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0211 0.2651 0.8945
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0065 0.0018
Brugia malayi Voltage-dependent L-type calcium channel beta-2 subunit 0.0319 0.4183 0.4145
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0037 0.0185 0.0272
Plasmodium vivax glutathione reductase, putative 0.0083 0.0837 1
Echinococcus multilocularis solute carrier family 5 0.0037 0.0185 0.0272
Schistosoma mansoni hypothetical protein 0.0311 0.4072 0.9137
Echinococcus granulosus solute carrier family 5 0.0037 0.0185 0.0312
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0079 0.0779 0.1628
Mycobacterium ulcerans lipase LipD 0.0036 0.0172 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0084 0.0844 0.1776
Loa Loa (eye worm) hypothetical protein 0.0036 0.0172 0.0172
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0037 0.0185 0.0272
Loa Loa (eye worm) beta-lactamase 0.0036 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0729 1 1
Plasmodium falciparum thioredoxin reductase 0.0083 0.0837 1
Loa Loa (eye worm) hypothetical protein 0.0373 0.4943 0.4943
Plasmodium vivax thioredoxin reductase, putative 0.0083 0.0837 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0172 0.0108
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0029 0.0065 0.0779
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0211 0.2651 1
Echinococcus granulosus sodium:glucose cotransporter 0.0037 0.0185 0.0312
Giardia lamblia NADH oxidase lateral transfer candidate 0.0029 0.0065 0.5
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0065 0.0018
Echinococcus multilocularis voltage dependent calcium channel 0.0079 0.0779 0.1628
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0729 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.007 0.007
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0065 0.5
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0029 0.0065 0.0041
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0172 0.0245
Schistosoma mansoni voltage-gated cation channel 0.0079 0.0779 0.1628
Brugia malayi beta-lactamase family protein 0.0036 0.0172 0.0108
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.007 0.0023
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0172 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0172 0.0371
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0172 0.0126
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0079 0.0779 0.1628
Mycobacterium tuberculosis Probable reductase 0.019 0.235 0.7905
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0065 0.0018
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0029 0.0065 0.0018
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0029 0.0065 0.5
Trichomonas vaginalis esterase, putative 0.0036 0.0172 1
Onchocerca volvulus 0.0037 0.0185 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.007 0.0023
Loa Loa (eye worm) hypothetical protein 0.0079 0.0779 0.0779
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.019 0.235 0.7905
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0311 0.4072 0.4072
Schistosoma mansoni inositol transporter 0.0037 0.0185 0.0272
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0079 0.0779 0.0718
Echinococcus granulosus sodium:myo inositol cotransporter 0.0037 0.0185 0.0312
Loa Loa (eye worm) hypothetical protein 0.0036 0.0172 0.0172
Plasmodium vivax importin-beta 2, putative 0.0029 0.007 0.0057
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0172 0.0172
Trypanosoma brucei trypanothione reductase 0.0083 0.0837 0.0794
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0172 0.0245
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0065 0.0018
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0083 0.0837 0.267
Leishmania major C-8 sterol isomerase-like protein 0.0729 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0065 0.0018
Trypanosoma cruzi trypanothione reductase, putative 0.0083 0.0837 0.0794
Echinococcus granulosus snurportin 1 0.0311 0.4072 0.9141
Loa Loa (eye worm) hypothetical protein 0.0338 0.445 0.445
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0037 0.0185 0.0312
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0029 0.0065 0.0018
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.019 0.235 0.7905
Leishmania major hypothetical protein, conserved 0.0036 0.0172 0.0108
Mycobacterium tuberculosis Probable dehydrogenase 0.019 0.235 0.7905
Trypanosoma brucei C-8 sterol isomerase, putative 0.0729 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0065 0.0018
Schistosoma mansoni high voltage-activated calcium channel beta subunit 2 0.0155 0.1853 0.4077
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0172 1
Plasmodium falciparum importin beta, putative 0.0029 0.007 0.0057
Plasmodium falciparum glutathione reductase 0.0083 0.0837 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0065 0.0018
Echinococcus granulosus thioredoxin glutathione reductase 0.0084 0.0844 0.181
Echinococcus granulosus sodium:glucose cotransporter 2 0.0037 0.0185 0.0312
Echinococcus multilocularis high voltage activated calcium channel beta 0.0155 0.1853 0.4077
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0172 0.0245
Schistosoma mansoni inositol transporter 0.0037 0.0185 0.0272
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0189 0.0124
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.019 0.235 0.7905
Brugia malayi RNA, U transporter 1 0.0083 0.0832 0.0772
Mycobacterium tuberculosis Conserved protein 0.0036 0.0172 0.0371
Mycobacterium tuberculosis Conserved protein 0.0036 0.0172 0.0371
Echinococcus multilocularis geminin 0.0331 0.435 0.9773
Loa Loa (eye worm) hypothetical protein 0.0038 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0036 0.0172 0.0172
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0037 0.0185 0.0272
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0079 0.0779 0.1628
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0079 0.0779 0.1628
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0436 0.0436
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0029 0.0065 0.0018
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0079 0.0779 0.1662
Brugia malayi Serotonin receptor 0.0461 0.6199 0.6175
Brugia malayi beta-lactamase 0.0036 0.0172 0.0108
Schistosoma mansoni hypothetical protein 0.0331 0.435 0.9773
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0029 0.0065 0.0018
Loa Loa (eye worm) thioredoxin reductase 0.0083 0.0837 0.0837
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0029 0.0065 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0047 0.0047
Echinococcus multilocularis snurportin 1 0.0311 0.4072 0.9137
Loa Loa (eye worm) hypothetical protein 0.0037 0.0185 0.0185
Toxoplasma gondii transporter, cation channel family protein 0.0028 0.0047 0.0564
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0029 0.0065 0.0018
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0172 0.0371
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0436 0.0373
Mycobacterium tuberculosis Putative ferredoxin reductase 0.019 0.235 0.7905
Loa Loa (eye worm) voltage-dependent calcium channel 0.0028 0.0047 0.0047
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0172 0.0371
Loa Loa (eye worm) hypothetical protein 0.0036 0.0172 0.0172
Schistosoma mansoni hypothetical protein 0.0038 0.0189 0.0282
Echinococcus multilocularis high affinity choline transporter 1 0.0338 0.445 1
Schistosoma mansoni importin beta-1 0.0029 0.007 0.001
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.019 0.235 0.8787
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0079 0.0779 0.1628
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0172 0.0285
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0172 0.1389
Echinococcus granulosus geminin 0.0331 0.435 0.9774
Toxoplasma gondii thioredoxin reductase 0.0083 0.0837 1
Brugia malayi Thioredoxin reductase 0.0083 0.0837 0.0777
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0172 1
Brugia malayi Sodium:solute symporter family protein 0.0037 0.0185 0.012
Echinococcus granulosus voltage dependent calcium channel 0.0079 0.0779 0.1662

Activities

No activities found for this compound.

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

Bibliographic References

No literature references available for this target.

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