Detailed information for compound 658419

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 275.344 | Formula: C19H17NO
  • H donors: 1 H acceptors: 1 LogP: 4.91 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)N=Cc1c(O)ccc2c1cccc2
  • InChi: 1S/C19H17NO/c1-2-14-7-10-16(11-8-14)20-13-18-17-6-4-3-5-15(17)9-12-19(18)21/h3-13,21H,2H2,1H3/b20-13+
  • InChiKey: JPZIGMWHWAOWNX-DEDYPNTBSA-N  

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
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0997 0.631
Schistosoma mansoni intermediate filament proteins 0.0029 0.0081 0.0181
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.002 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0081 0.0514
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0139 0.0136
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0044 0.0177 1
Entamoeba histolytica hypothetical protein 0.0023 0.0048 0.0247
Echinococcus granulosus Niemann Pick C1 protein 0.0288 0.1658 0.3812
Loa Loa (eye worm) hypothetical protein 0.0036 0.0128 0.0813
Loa Loa (eye worm) hypothetical protein 0.025 0.1428 0.9106
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0202 0.1636
Schistosoma mansoni hypothetical protein 0.0036 0.0126 0.0286
Onchocerca volvulus Glucosylceramidase homolog 0.0179 0.0997 1
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0048 1
Echinococcus granulosus expressed conserved protein 0.0189 0.1058 0.2431
Schistosoma mansoni survival motor neuron protein 0.0051 0.0217 0.0496
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0049 0.0202 0.0682
Schistosoma mansoni hypothetical protein 0.0083 0.0414 0.0948
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.002 0.0018
Echinococcus granulosus survival motor neuron protein 1 0.025 0.1428 0.3283
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0202 0.0624
Schistosoma mansoni hypothetical protein 0.0083 0.0414 0.0948
Echinococcus multilocularis GPCR, family 2 0.0017 0.0009 0.0006
Loa Loa (eye worm) hypothetical protein 0.0036 0.0128 0.0813
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0997 0.631
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0009 0.0054
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0228 0.0775
Loa Loa (eye worm) hypothetical protein 0.0049 0.0202 0.1289
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0202 0.0688
Echinococcus granulosus lamin 0.0029 0.0081 0.0181
Onchocerca volvulus 0.016 0.0879 0.8713
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0116 0.0386
Echinococcus multilocularis lamin 0.0029 0.0081 0.0079
Echinococcus granulosus Niemann Pick C1 protein 0.0202 0.1132 0.2602
Loa Loa (eye worm) hypothetical protein 0.0028 0.0077 0.0493
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0023 0.0048 0.0094
Schistosoma mansoni hypothetical protein 0.0017 0.0009 0.0015
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0499 0.2937 1
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0997 0.631
Loa Loa (eye worm) hypothetical protein 0.0036 0.0128 0.0813
Loa Loa (eye worm) hypothetical protein 0.0049 0.0202 0.1289
Echinococcus multilocularis geminin 0.0179 0.0997 0.0995
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0044 0.0177 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0044 0.0177 0.0538
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0997 0.631
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0205 0.1151 0.2645
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0044 0.0177 0.0596
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0044 0.0177 0.0403
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0044 0.0177 0.1014
Schistosoma mansoni lamin 0.0029 0.0081 0.0181
Onchocerca volvulus 0.0049 0.0202 0.1327
Echinococcus multilocularis neuropeptide s receptor 0.0465 0.2733 0.2732
Mycobacterium ulcerans acetylornithine aminotransferase 0.0044 0.0177 0.0538
Entamoeba histolytica hypothetical protein 0.0038 0.0139 0.1064
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.002 0.0062
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0048 0.2605
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0009 0.0015
Echinococcus multilocularis neuropeptide receptor A26 0.0465 0.2733 0.2732
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0081 0.0514
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0087 0.0433 0.276
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.0407 0.1386
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.1056 0.6689
Echinococcus granulosus Protein patched homolog 1 0.0087 0.0433 0.0992
Loa Loa (eye worm) hypothetical protein 0.0053 0.0228 0.1452
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0228 0.0775
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0009 0.0006
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0048 0.0155
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0044 0.0177 0.0538
Plasmodium vivax ornithine aminotransferase, putative 0.0044 0.0177 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.0551 0.3514
Loa Loa (eye worm) hypothetical protein 0.0049 0.0202 0.1289
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0044 0.0177 0.838
Echinococcus multilocularis musashi 0.0029 0.0081 0.0079
Toxoplasma gondii exonuclease III APE 0.0019 0.002 0.1033
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0009 0.0029
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0002 0.0007
Loa Loa (eye worm) hypothetical protein 0.0082 0.0407 0.2595
Schistosoma mansoni lamin 0.0029 0.0081 0.0181
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0202 0.0688
Loa Loa (eye worm) hypothetical protein 0.016 0.0879 0.5605
Echinococcus multilocularis protein patched 0.0087 0.0433 0.0431
Echinococcus granulosus Aminotransferase class III 0.0044 0.0177 0.0403
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0048 0.2605
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0128 0.7168
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0044 0.0177 0.0596
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0044 0.0177 0.0538
Loa Loa (eye worm) hypothetical protein 0.0087 0.0433 0.276
Schistosoma mansoni hypothetical protein 0.0038 0.0139 0.0314
Schistosoma mansoni hypothetical protein 0.0179 0.0997 0.2291
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0128 0.0428
Loa Loa (eye worm) hypothetical protein 0.0036 0.0128 0.0813
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0202 1
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.1056 0.6689
Trichomonas vaginalis glucosylceramidase, putative 0.0273 0.1569 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0202 0.0624
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.002 0.0042
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0202 0.1132 1
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0044 0.0177 0.838
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.0054
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0202 0.0624
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0048 0.2279
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0048 0.2605
Echinococcus granulosus microtubule associated protein 2 0.073 0.4347 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0009 0.0015
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0044 0.0177 0.0596
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.0407 0.0932
Schistosoma mansoni hypothetical protein 0.0179 0.0997 0.2291
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.002 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0202 0.1132 0.1131
Mycobacterium ulcerans hypothetical protein 0.0044 0.0177 0.0538
Schistosoma mansoni ap endonuclease 0.0019 0.002 0.0042
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0044 0.0177 0.0596
Echinococcus multilocularis sterol regulatory element binding protein 0.0087 0.0433 0.0431
Brugia malayi hypothetical protein 0.0038 0.0139 0.0472
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0023 0.0048 0.0094
Echinococcus granulosus ornithine aminotransferase 0.0044 0.0177 0.0403
Schistosoma mansoni hypothetical protein 0.0017 0.0009 0.0015
Loa Loa (eye worm) hypothetical protein 0.0202 0.1132 0.722
Echinococcus granulosus intermediate filament protein 0.0029 0.0081 0.0181
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0009 0.0006
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.002 0.0128
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0044 0.0177 0.838
Plasmodium falciparum ornithine aminotransferase 0.0044 0.0177 1
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0499 0.2937 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0126 0.043
Trichomonas vaginalis glucosylceramidase, putative 0.0273 0.1569 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0116 0.0386
Schistosoma mansoni ap endonuclease 0.0019 0.002 0.0042
Echinococcus granulosus GPCR family 2 0.0017 0.0009 0.0015
Echinococcus granulosus geminin 0.0179 0.0997 0.2291
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.002 0.0904
Echinococcus multilocularis ornithine aminotransferase 0.0044 0.0177 0.0175
Echinococcus multilocularis protein dispatched 1 0.0099 0.0507 0.0505
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0997 0.631
Brugia malayi intermediate filament protein 0.0029 0.0081 0.0274
Brugia malayi CHE-14 protein 0.0087 0.0433 0.1474
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0228 0.1452
Brugia malayi hypothetical protein 0.016 0.0879 0.2993
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.002 0.1033
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0139 0.0314
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0048 0.2605
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0202 1
Schistosoma mansoni hypothetical protein 0.0051 0.0217 0.0496
Entamoeba histolytica acyl-coA synthetase, putative 0.0049 0.0202 0.1636
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.002 0.3965
Echinococcus granulosus neuropeptide receptor A26 0.0465 0.2733 0.6286
Echinococcus granulosus neuropeptide s receptor 0.0465 0.2733 0.6286
Schistosoma mansoni hypothetical protein 0.0083 0.0414 0.0948
Echinococcus multilocularis survival motor neuron protein 1 0.025 0.1428 0.1427
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0009 0.0029
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0116 0.0386
Schistosoma mansoni hypothetical protein 0.0017 0.0009 0.0015
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.0128 0.0368
Mycobacterium ulcerans L-lysine aminotransferase 0.0499 0.2937 1
Echinococcus multilocularis microtubule associated protein 2 0.073 0.4347 0.4345
Brugia malayi hypothetical protein 0.025 0.1428 0.4863
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0048 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0202 1
Trichomonas vaginalis glucosylceramidase, putative 0.0273 0.1569 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0217 0.074
Trichomonas vaginalis conserved hypothetical protein 0.0087 0.0433 0.2666
Echinococcus multilocularis lamin dm0 0.0029 0.0081 0.0079
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0128 0.6171
Schistosoma mansoni patched 1 0.0087 0.0433 0.0992
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0139 0.0314
Trichomonas vaginalis glucosylceramidase, putative 0.0273 0.1569 1
Echinococcus multilocularis ornithine aminotransferase 0.0044 0.0177 0.0175
Brugia malayi Niemann-Pick C1 protein precursor 0.0202 0.1132 0.3855
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0081 0.0514
Leishmania major 4-coumarate:coa ligase-like protein 0.0049 0.0202 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.002 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0997 0.631
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.0407 0.0405
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0081 0.0274
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0048 0.1753
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0049 0.0202 0.0624
Entamoeba histolytica hypothetical protein 0.0038 0.0139 0.1064
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.0407 0.0932
Onchocerca volvulus 0.0051 0.0217 0.1492
Entamoeba histolytica hypothetical protein 0.0038 0.0139 0.1064
Echinococcus multilocularis expressed conserved protein 0.0189 0.1058 0.1056
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0049 0.0202 0.0624
Brugia malayi AMP-binding enzyme family protein 0.0049 0.0202 0.0688
Entamoeba histolytica hypothetical protein 0.0038 0.0139 0.1064
Brugia malayi isocitrate dehydrogenase 0.0016 0.0002 0.0007
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0128 0.7168
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0044 0.0177 0.0538
Schistosoma mansoni hypothetical protein 0.0017 0.0009 0.0015
Loa Loa (eye worm) hypothetical protein 0.0036 0.0126 0.0805
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0049 0.0202 1
Mycobacterium tuberculosis Probable aminotransferase 0.0044 0.0177 0.0596
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0273 0.1569 1
Schistosoma mansoni hypothetical protein 0.0083 0.0414 0.0948
Echinococcus multilocularis Niemann Pick C1 protein 0.0288 0.1658 0.1657
Onchocerca volvulus 0.0082 0.0407 0.3561
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.002 0.0069
Echinococcus granulosus lamin dm0 0.0029 0.0081 0.0181
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0044 0.0177 0.0538
Entamoeba histolytica acyl-CoA synthetase, putative 0.0049 0.0202 0.1636
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0034 0.0116 0.0386
Echinococcus multilocularis Aminotransferase class III 0.0044 0.0177 0.0175
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0002 0.0013
Echinococcus granulosus sterol regulatory element binding protein 0.0087 0.0433 0.0992
Loa Loa (eye worm) hypothetical protein 0.0036 0.0128 0.0813
Trichomonas vaginalis glucosylceramidase, putative 0.0273 0.1569 1
Mycobacterium ulcerans hypothetical protein 0.0049 0.0202 0.0624
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.002 0.1033
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0044 0.0177 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0049 0.0202 0.0682
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0273 0.1569 0.534
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0049 0.0202 0.0624
Trichomonas vaginalis glucosylceramidase, putative 0.0179 0.0997 0.631
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0044 0.0177 0.838
Schistosoma mansoni microtubule-associated protein tau 0.073 0.4347 1
Trichomonas vaginalis glucosylceramidase, putative 0.0273 0.1569 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0049 0.0202 0.0624

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.
 
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

No literature references available for this target.

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