Detailed information for compound 1766642

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 421.489 | Formula: C24H27N3O4
  • H donors: 0 H acceptors: 1 LogP: 3.14 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCn1c(=O)nc(c2c1c1ccccc1o2)c1ccc(cc1)COCCN(C)C
  • InChi: 1S/C24H27N3O4/c1-26(2)12-15-30-16-17-8-10-18(11-9-17)21-23-22(19-6-4-5-7-20(19)31-23)27(13-14-29-3)24(28)25-21/h4-11H,12-16H2,1-3H3
  • InChiKey: JTXWZVVLCLFAPN-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
Brugia malayi Pyruvate kinase, M2 isozyme 0.0034 0.0101 0.0373
Echinococcus granulosus expressed conserved protein 0.0092 0.0526 0.0526
Echinococcus multilocularis BC026374 protein (S09 family) 0.0045 0.0181 0.0181
Echinococcus granulosus BC026374 protein S09 family 0.0045 0.0181 0.0181
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0202 1
Echinococcus multilocularis protein kinase shaggy 0.0098 0.0572 0.0572
Schistosoma mansoni hypothetical protein 0.0031 0.0081 0.0081
Echinococcus granulosus carboxylesterase 5A 0.0265 0.179 0.179
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0101 0.1762
Onchocerca volvulus 0.0098 0.0572 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.0181 0.0181
Onchocerca volvulus 0.0049 0.0211 0.3686
Loa Loa (eye worm) hypothetical protein 0.0067 0.0345 0.1276
Trichomonas vaginalis CMGC family protein kinase 0.0098 0.0572 1
Entamoeba histolytica protein kinase, putative 0.0098 0.0572 1
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0101 0.0373
Loa Loa (eye worm) hypothetical protein 0.0036 0.0114 0.0422
Echinococcus granulosus geminin 0.0172 0.1108 0.1108
Mycobacterium tuberculosis Carboxylesterase LipT 0.0045 0.0181 0.7971
Plasmodium vivax pyruvate kinase, putative 0.0034 0.0101 0.0669
Schistosoma mansoni hypothetical protein 0.0031 0.0081 0.0081
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0202 1
Plasmodium falciparum glycogen synthase kinase 3 0.0098 0.0572 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0081 0.03
Brugia malayi Serine/threonine-protein kinase SULU 0.0389 0.27 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0202 0.2143
Loa Loa (eye worm) hypothetical protein 0.0051 0.023 0.0853
Brugia malayi hypothetical protein 0.0045 0.0181 0.0671
Trypanosoma brucei protein kinase, putative 0.0098 0.0572 1
Onchocerca volvulus 0.0045 0.0181 0.3165
Loa Loa (eye worm) hypothetical protein 0.0239 0.1604 0.5942
Brugia malayi MH2 domain containing protein 0.0119 0.0722 0.2675
Onchocerca volvulus 0.0045 0.0181 0.3165
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0098 0.0572 0.0572
Echinococcus granulosus Protein patched homolog 1 0.0042 0.0161 0.0161
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0112 0.0112
Echinococcus multilocularis serine:threonine protein kinase TAO1 0.0389 0.27 0.27
Brugia malayi hypothetical protein 0.0389 0.27 1
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0202 0.0747
Loa Loa (eye worm) STE/STE20/TAO protein kinase 0.0389 0.27 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0045 0.0181 0.7971
Schistosoma mansoni hypothetical protein 0.0041 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0042 0.0161 0.0597
Brugia malayi intracellular kinase 0.0098 0.0572 0.2119
Echinococcus multilocularis pyruvate kinase 0.0027 0.0049 0.0049
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0112 0.0112
Echinococcus multilocularis carboxylesterase 5A 0.0265 0.179 0.179
Loa Loa (eye worm) hypothetical protein 0.0036 0.0114 0.0422
Echinococcus granulosus pyruvate kinase 0.0034 0.0101 0.0101
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0048 0.0202 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0202 0.0747
Brugia malayi Carboxylesterase family protein 0.0265 0.179 0.6631
Brugia malayi Carboxylesterase family protein 0.0045 0.0181 0.0671
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.1604 0.1604
Brugia malayi Carboxylesterase family protein 0.0045 0.0181 0.0671
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.057 0.057
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.0161 0.0161
Entamoeba histolytica protein kinase domain containing protein 0.0098 0.0572 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0045 0.0181 0.0181
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.0161 0.0161
Brugia malayi hypothetical protein 0.0239 0.1604 0.5942
Loa Loa (eye worm) hypothetical protein 0.0265 0.179 0.6631
Plasmodium vivax glycogen synthase kinase 3, putative 0.0098 0.0572 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0045 0.0181 0.0181
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.0161 0.0597
Echinococcus granulosus peregrin 0.0029 0.0067 0.0067
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0081 0.03
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0581 0.0581
Entamoeba histolytica protein kinase domain containing protein 0.0098 0.0572 1
Echinococcus multilocularis acetylcholinesterase 0.0265 0.179 0.179
Onchocerca volvulus 0.0045 0.0181 0.3165
Schistosoma mansoni patched 1 0.0042 0.0161 0.0161
Echinococcus multilocularis protein dispatched 1 0.0048 0.0205 0.0205
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0048 0.0202 1
Giardia lamblia Kinase, CMGC GSK 0.0098 0.0572 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.057 0.2111
Entamoeba histolytica acyl-coA synthetase, putative 0.0048 0.0202 0.3218
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0036 0.0114 0.1292
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0081 0.0081
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0098 0.0572 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0081 0.0081
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0202 0.2143
Loa Loa (eye worm) hypothetical protein 0.0036 0.0114 0.0422
Brugia malayi CHE-14 protein 0.0042 0.0161 0.0597
Brugia malayi jmjC domain containing protein 0.0035 0.0112 0.0414
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0098 0.0572 0.2119
Loa Loa (eye worm) hypothetical protein 0.0045 0.0181 0.0671
Schistosoma mansoni hypothetical protein 0.0041 0.015 0.015
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0036 0.0114 0.139
Giardia lamblia Pyruvate kinase 0.0034 0.0101 0.0669
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0048 0.0202 1
Loa Loa (eye worm) hypothetical protein 0.0265 0.179 0.6631
Schistosoma mansoni hypothetical protein 0.0049 0.0211 0.0211
Echinococcus multilocularis GPCR, family 2 0.0031 0.0081 0.0081
Brugia malayi Carboxylesterase family protein 0.0265 0.179 0.6631
Schistosoma mansoni pyruvate kinase 0.0034 0.0101 0.0101
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0034 0.0101 0.0113
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0067 0.0067
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0095 0.0552 0.0552
Brugia malayi Carboxylesterase family protein 0.0045 0.0181 0.0671
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0112 0.0112
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0112 0.0414
Echinococcus granulosus para nitrobenzyl esterase 0.0045 0.0181 0.0181
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0048 0.0202 1
Echinococcus granulosus acetylcholinesterase 0.0265 0.179 0.179
Schistosoma mansoni acetylcholinesterase 0.0045 0.0181 0.0181
Trichomonas vaginalis spcc417.12 protein, putative 0.0045 0.0181 0.1703
Schistosoma mansoni survival motor neuron protein 0.0049 0.0211 0.0211
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0345 0.1276
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0024 0.0026 0.0097
Echinococcus granulosus neuroligin 0.0045 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0048 0.0202 0.0747
Trichomonas vaginalis CMGC family protein kinase 0.0098 0.0572 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0572 0.2118
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0101 0.1762
Echinococcus granulosus pyruvate kinase 0.0034 0.0101 0.0101
Loa Loa (eye worm) carboxylesterase 0.0045 0.0181 0.0671
Loa Loa (eye worm) hypothetical protein 0.0048 0.0202 0.0747
Echinococcus multilocularis neuroligin 0.0045 0.0181 0.0181
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0045 0.0181 0.1703
Brugia malayi Pyruvate kinase, muscle isozyme 0.0034 0.0101 0.0373
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0161 0.1281
Loa Loa (eye worm) hypothetical protein 0.0045 0.0181 0.0671
Echinococcus multilocularis acetylcholinesterase 0.0265 0.179 0.179
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0211 0.0781
Brugia malayi Carboxylesterase family protein 0.0045 0.0181 0.0671
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0572 0.2118
Brugia malayi Bromodomain containing protein 0.0029 0.0067 0.0248
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0202 1
Echinococcus multilocularis protein patched 0.0042 0.0161 0.0161
Schistosoma mansoni hypothetical protein 0.0172 0.1108 0.1108
Loa Loa (eye worm) hypothetical protein 0.0036 0.0114 0.0422
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0098 0.0572 0.0572
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0081 0.0081
Echinococcus granulosus jumonji domain containing protein 0.0041 0.015 0.015
Loa Loa (eye worm) carboxylesterase 0.0265 0.179 0.6631
Onchocerca volvulus 0.0045 0.0181 0.3165
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0036 0.0114 1
Onchocerca volvulus Alhambra homolog 0.0029 0.0067 0.1171
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0112 0.0112
Loa Loa (eye worm) pyruvate kinase-PB 0.0024 0.0026 0.0097
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0067 0.0248
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.0294 0.1089
Echinococcus multilocularis microtubule associated protein 2 0.1388 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0202 0.3218
Loa Loa (eye worm) carboxylesterase 0.0045 0.0181 0.0671
Onchocerca volvulus Pyruvate kinase homolog 0.0034 0.0101 0.1762
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.1604 0.1604
Schistosoma mansoni microtubule-associated protein tau 0.1388 1 1
Schistosoma mansoni hypothetical protein 0.0031 0.0081 0.0081
Echinococcus granulosus serine:threonine protein kinase TAO1 0.0389 0.27 0.27
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.0181 0.0181
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0045 0.0181 0.0181
Schistosoma mansoni serine/threonine protein kinase 0.0389 0.27 0.27
Onchocerca volvulus 0.0045 0.0181 0.3165
Loa Loa (eye worm) hypothetical protein 0.0098 0.0572 0.2118
Schistosoma mansoni hypothetical protein 0.0172 0.1108 0.1108
Mycobacterium ulcerans hypothetical protein 0.0048 0.0202 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0098 0.0572 0.2119
Loa Loa (eye worm) hypothetical protein 0.0045 0.0181 0.0671
Plasmodium falciparum pyruvate kinase 0.0034 0.0101 0.0669
Loa Loa (eye worm) hypothetical protein 0.0045 0.0181 0.0671
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0265 0.179 0.179
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0202 0.0747
Plasmodium falciparum acyl-CoA synthetase 0.0036 0.0114 0.0928
Schistosoma mansoni BC026374 protein (S09 family) 0.0045 0.0181 0.0181
Brugia malayi PHD-finger family protein 0.0029 0.0067 0.0248
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0067 0.0067
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0045 0.0181 0.0181
Schistosoma mansoni hypothetical protein 0.0029 0.0067 0.0067
Giardia lamblia Kinase, CMGC GSK 0.0098 0.0572 1
Echinococcus granulosus acetylcholinesterase 0.0265 0.179 0.179
Schistosoma mansoni pyruvate kinase 0.0034 0.0101 0.0101
Schistosoma mansoni hypothetical protein 0.0041 0.015 0.015
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0048 0.0202 1
Toxoplasma gondii pyruvate kinase PyK1 0.0034 0.0101 0.0669
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.015 0.015
Echinococcus multilocularis pyruvate kinase 0.0034 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0036 0.0114 0.0422
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0098 0.0572 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.0722 0.2675
Loa Loa (eye worm) acetylcholinesterase 1 0.0265 0.179 0.6631
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0048 0.0202 1
Echinococcus granulosus Niemann Pick C1 protein 0.014 0.0877 0.0877
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0095 0.0552 0.0552
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0048 0.0202 1
Echinococcus multilocularis expressed conserved protein 0.0092 0.0526 0.0526
Plasmodium vivax acyl-CoA synthetase, putative 0.0036 0.0114 0.0928
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0101 0.0373
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0098 0.0572 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0181 0.0671
Echinococcus granulosus protein kinase shaggy 0.0098 0.0572 0.0572
Echinococcus multilocularis peregrin 0.0029 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0034 0.0101 0.0373
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0045 0.0181 0.7971
Schistosoma mansoni gliotactin 0.0045 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0029 0.0067 0.0248
Echinococcus granulosus GPCR family 2 0.0031 0.0081 0.0081
Echinococcus multilocularis Niemann Pick C1 protein 0.014 0.0877 0.0877
Loa Loa (eye worm) pyruvate kinase 0.0034 0.0101 0.0373
Schistosoma mansoni neuroligin 3 (S09 family) 0.0045 0.0181 0.0181
Brugia malayi jmjC domain containing protein 0.0095 0.0552 0.2044
Echinococcus multilocularis geminin 0.0172 0.1108 0.1108
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.0722 0.2675
Brugia malayi AMP-binding enzyme family protein 0.0048 0.0202 0.0747
Loa Loa (eye worm) hypothetical protein 0.005 0.0219 0.0812
Mycobacterium ulcerans carboxylesterase, LipT 0.0045 0.0181 0.7948
Loa Loa (eye worm) hypothetical protein 0.0045 0.0181 0.0671
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0067 0.0067
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0572 0.2118
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0081 0.03
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0081 0.03
Loa Loa (eye worm) hypothetical protein 0.0045 0.0181 0.0671
Leishmania major 4-coumarate:coa ligase-like protein 0.0048 0.0202 0.2143
Schistosoma mansoni hypothetical protein 0.0067 0.0345 0.0345
Schistosoma mansoni hypothetical protein 0.0041 0.015 0.015
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.057 0.057
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0408 0.0408
Entamoeba histolytica acyl-CoA synthetase, putative 0.0048 0.0202 0.3218
Onchocerca volvulus 0.0048 0.0202 0.3527
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0098 0.0572 0.0572
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.057 0.9959
Echinococcus multilocularis pyruvate kinase 0.0034 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0098 0.057 0.2111
Mycobacterium ulcerans acyl-CoA synthetase 0.0048 0.0202 1
Schistosoma mansoni hypothetical protein 0.0031 0.0081 0.0081

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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