Detailed information for compound 1148127

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 381.468 | Formula: C22H27N3O3
  • H donors: 2 H acceptors: 2 LogP: 4.21 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cccc(c1)NC(=O)Oc1ccc2c(c1)[C@]1(C)CC[N+]([C@@H]1N2C)([O-])C
  • InChi: 1S/C22H27N3O3/c1-5-15-7-6-8-16(13-15)23-21(26)28-17-9-10-19-18(14-17)22(2)11-12-25(4,27)20(22)24(19)3/h6-10,13-14,20H,5,11-12H2,1-4H3,(H,23,26)/t20-,22-,25?/m0/s1
  • InChiKey: NCHQYWNSCTWXGR-IIUCQXFBSA-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
Schistosoma mansoni hypothetical protein 0.0021 0.0127 0.0087
Mycobacterium ulcerans pyruvate kinase 0.0642 0.7896 1
Echinococcus granulosus lamin dm0 0.0027 0.0201 0.0222
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0065 0.0082
Echinococcus granulosus neuropeptide s receptor 0.0471 0.5761 0.7287
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0067 0.0706 0.0825
Schistosoma mansoni lamin 0.0027 0.0201 0.0181
Trypanosoma cruzi pyruvate kinase 2, putative 0.0642 0.7896 1
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0044 0.0056
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.068 0.0861
Echinococcus multilocularis pyruvate kinase 0.0507 0.6204 0.6194
Brugia malayi intermediate filament protein 0.0027 0.0201 0.0254
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0081 0.0055
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.0656 0.0807
Loa Loa (eye worm) hypothetical protein 0.0026 0.0195 0.0221
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0065 0.0082
Loa Loa (eye worm) pyruvate kinase-PB 0.0448 0.5466 0.6914
Echinococcus granulosus lamin 0.0027 0.0201 0.0222
Echinococcus multilocularis cpg binding protein 0.0033 0.0275 0.0249
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0065 0.068 0.083
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0201 0.0229
Loa Loa (eye worm) pyruvate kinase 0.0135 0.1556 0.195
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0065 0.0049
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0081 0.0029
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0642 0.7896 1
Schistosoma mansoni pyruvate kinase 0.0642 0.7896 1
Schistosoma mansoni ferritin light chain 0.0017 0.008 0.0027
Schistosoma mansoni bromodomain containing protein 0.0066 0.0692 0.0807
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0089 0.0063
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0706 0.08
Onchocerca volvulus Huntingtin homolog 0.0135 0.155 0.1831
Onchocerca volvulus Pyruvate kinase homolog 0.0642 0.7896 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0065 0.0039
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0017 0.008 0.5
Onchocerca volvulus 0.0027 0.0201 0.0095
Echinococcus multilocularis musashi 0.0027 0.0201 0.0175
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0065 0.0039
Schistosoma mansoni pyruvate kinase 0.0642 0.7896 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0127 0.0101
Brugia malayi PHD-finger family protein 0.0027 0.0202 0.0256
Schistosoma mansoni pyruvate kinase 0.0329 0.3987 0.5012
Loa Loa (eye worm) pyruvate kinase 0.0642 0.7896 1
Loa Loa (eye worm) pyruvate kinase 0.0642 0.7896 1
Schistosoma mansoni polycystin 1-related 0.0021 0.0127 0.0087
Echinococcus multilocularis tar DNA binding protein 0.0063 0.0656 0.0631
Schistosoma mansoni ferritin 0.0017 0.008 0.0027
Echinococcus granulosus Polycystic kidney disease protein 0.0021 0.0127 0.0128
Echinococcus granulosus pyruvate kinase 0.0329 0.3987 0.5032
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0656 0.0761
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0347 0.0368
Echinococcus granulosus intermediate filament protein 0.0027 0.0201 0.0222
Schistosoma mansoni hypothetical protein 0.0417 0.508 0.6407
Loa Loa (eye worm) doublecortin family protein 0.0021 0.0127 0.0136
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0579 0.0709
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0706 0.0825
Loa Loa (eye worm) RNA binding protein 0.0063 0.0656 0.0807
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0044 0.0031
Loa Loa (eye worm) pyruvate kinase 0.0642 0.7896 1
Echinococcus multilocularis RUN 0.0021 0.0127 0.0101
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0127 0.0128
Echinococcus multilocularis neuropeptide receptor A26 0.0471 0.5761 0.575
Loa Loa (eye worm) glutaminase 2 0.0292 0.3516 0.4439
Brugia malayi hypothetical protein 0.0021 0.0127 0.0161
Brugia malayi CXXC zinc finger family protein 0.0029 0.023 0.0291
Loa Loa (eye worm) hypothetical protein 0.0042 0.0383 0.0461
Schistosoma mansoni loxhd1 0.0021 0.0127 0.0087
Brugia malayi Pyruvate kinase, muscle isozyme 0.0642 0.7896 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0067 0.0706 0.08
Schistosoma mansoni hypothetical protein 0.0021 0.0127 0.0087
Onchocerca volvulus 0.0027 0.0201 0.0095
Brugia malayi RNA binding protein 0.0063 0.0656 0.083
Schistosoma mansoni lipoxygenase 0.0088 0.0965 0.1157
Echinococcus multilocularis pyruvate kinase 0.0642 0.7896 0.7891
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0081 0.0029
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0065 0.068 0.0792
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0126 0.144 0.1417
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0081 0.007
Echinococcus multilocularis expressed protein 0.0017 0.008 0.0054
Schistosoma mansoni ferritin 0.0017 0.008 0.0027
Trichomonas vaginalis pyruvate kinase, putative 0.0642 0.7896 1
Toxoplasma gondii pyruvate kinase PyKII 0.0329 0.3987 0.465
Echinococcus multilocularis dnaJ subfamily B 0.0417 0.508 0.5067
Schistosoma mansoni cpg binding protein 0.0033 0.0275 0.0276
Schistosoma mansoni hypothetical protein 0.0016 0.0065 0.0008
Echinococcus multilocularis GPCR, family 2 0.0016 0.0065 0.0039
Trichomonas vaginalis pyruvate kinase, putative 0.0642 0.7896 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0766 0.0946
Loa Loa (eye worm) TAR-binding protein 0.0063 0.0656 0.0807
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0706 0.0161
Loa Loa (eye worm) hypothetical protein 0.0018 0.0089 0.0088
Brugia malayi hypothetical protein 0.0135 0.155 0.1962
Brugia malayi pyruvate kinase 0.0135 0.1556 0.1971
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0706 0.08
Entamoeba histolytica pyruvate kinase, putative 0.0448 0.5466 1
Echinococcus granulosus neuropeptide receptor A26 0.0471 0.5761 0.7287
Echinococcus granulosus ferritin 0.0017 0.008 0.0068
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0322 0.0296
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0065 0.068 0.0792
Trypanosoma cruzi pyruvate kinase 2, putative 0.0642 0.7896 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0706 0.0681
Echinococcus multilocularis pyruvate kinase 0.0329 0.3987 0.3971
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0656 0.0761
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0641 0.0742
Echinococcus multilocularis lamin 0.0027 0.0201 0.0175
Giardia lamblia Pyruvate kinase 0.0642 0.7896 1
Brugia malayi hypothetical protein 0.0021 0.0127 0.0161
Schistosoma mansoni ferritin 0.0017 0.008 0.0027
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0089 0.0087
Echinococcus multilocularis pyruvate kinase 0.0329 0.3987 0.3971
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0172 0.0185
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0126 0.144 0.1796
Schistosoma mansoni apoferritin-2 0.0017 0.008 0.0027
Loa Loa (eye worm) hypothetical protein 0.0016 0.0065 0.0057
Schistosoma mansoni lamin 0.0027 0.0201 0.0181
Onchocerca volvulus Huntingtin homolog 0.0135 0.155 0.1831
Plasmodium vivax pyruvate kinase, putative 0.0642 0.7896 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0065 0.0057
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0322 0.0376
Plasmodium falciparum pyruvate kinase 2 0.0329 0.3987 0.4968
Brugia malayi pyruvate kinase, muscle isozyme 0.0135 0.1556 0.1971
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0172 0.0146
Brugia malayi glutaminase DH11.1 0.0292 0.3516 0.4453
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0127 0.0135
Echinococcus multilocularis lipoxygenase domain containing protein 0.0021 0.0127 0.0101
Schistosoma mansoni hypothetical protein 0.0016 0.0065 0.0008
Loa Loa (eye worm) hypothetical protein 0.0642 0.7896 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.05 0.0609
Loa Loa (eye worm) hypothetical protein 0.0135 0.155 0.1942
Brugia malayi Doublecortin family protein 0.0021 0.0127 0.0161
Loa Loa (eye worm) hypothetical protein 0.0039 0.0353 0.0423
Echinococcus granulosus zinc finger protein 0.0022 0.0134 0.0137
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0646 0.0621
Brugia malayi Pyruvate kinase, M2 isozyme 0.0642 0.7896 1
Mycobacterium leprae Probable pyruvate kinase PykA 0.0642 0.7896 1
Trypanosoma brucei pyruvate kinase 1 0.0642 0.7896 1
Echinococcus multilocularis neuropeptide s receptor 0.0471 0.5761 0.575
Echinococcus granulosus GPCR family 2 0.0016 0.0065 0.0049
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0089 0.008
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0656 0.0761
Echinococcus granulosus expressed protein 0.0017 0.008 0.0068
Leishmania major pyruvate kinase 0.0642 0.7896 1
Chlamydia trachomatis pyruvate kinase 0.0642 0.7896 0.5
Echinococcus granulosus RUN 0.0021 0.0127 0.0128
Schistosoma mansoni lipoxygenase 0.0126 0.144 0.1762
Schistosoma mansoni hypothetical protein 0.0035 0.0298 0.0306
Loa Loa (eye worm) hypothetical protein 0.0021 0.0127 0.0136
Echinococcus granulosus pyruvate kinase 0.0329 0.3987 0.5032
Schistosoma mansoni cpg binding protein 0.0033 0.0275 0.0276
Echinococcus multilocularis Polycystic kidney disease protein 0.0021 0.0127 0.0101
Schistosoma mansoni rab6-interacting 0.0021 0.0127 0.0087
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0065 0.068 0.0767
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0656 0.0761
Brugia malayi Bromodomain containing protein 0.0078 0.0841 0.1065
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0065 0.068 0.0767
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.05 0.0609
Loa Loa (eye worm) hypothetical protein 0.0035 0.0298 0.0353
Echinococcus multilocularis pyruvate kinase 0.0642 0.7896 0.7891
Echinococcus granulosus lipoxygenase domain containing protein 0.0021 0.0127 0.0128
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0298 0.0378
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.0656 0.083
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.023 0.0266
Loa Loa (eye worm) hypothetical protein 0.0021 0.0127 0.0136
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0065 0.0049
Schistosoma mansoni rab6-interacting 0.0021 0.0127 0.0087
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0089 0.0039
Leishmania major pyruvate kinase 0.0642 0.7896 1
Schistosoma mansoni zinc finger protein 0.0022 0.0134 0.0096
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0065 0.068 0.0767
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0201 0.0254
Echinococcus granulosus pyruvate kinase 0.0642 0.7896 1
Trichomonas vaginalis glutaminase, putative 0.0292 0.3516 0.4396
Brugia malayi TAR-binding protein 0.0063 0.0656 0.083
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0065 0.068 0.0655
Treponema pallidum bacterioferrin (TpF1) 0.0017 0.008 0.5
Echinococcus granulosus pyruvate kinase 0.0642 0.7896 1
Echinococcus granulosus tar DNA binding protein 0.0063 0.0656 0.0799
Plasmodium vivax pyruvate kinase 2, putative 0.0329 0.3987 0.4968
Echinococcus multilocularis pyruvate kinase 0.0329 0.3987 0.3971
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0347 0.0407
Toxoplasma gondii pyruvate kinase PyK1 0.0642 0.7896 1
Schistosoma mansoni ferritin 0.0017 0.008 0.0027
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0172 0.0145
Loa Loa (eye worm) hypothetical protein 0.0013 0.0026 0.0008
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0347 0.0321
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.05 0.0633
Schistosoma mansoni cpg binding protein 0.0029 0.023 0.0218
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0194 0.2294 0.2906
Schistosoma mansoni intermediate filament proteins 0.0027 0.0201 0.0181
Loa Loa (eye worm) hypothetical protein 0.0027 0.0201 0.0229
Echinococcus multilocularis zinc finger protein 0.0022 0.0134 0.0108
Schistosoma mansoni hypothetical protein 0.0039 0.0347 0.0368
Loa Loa (eye worm) hypothetical protein 0.0135 0.155 0.1942
Brugia malayi hypothetical protein 0.0039 0.0347 0.044
Mycobacterium ulcerans glutaminase 0.0292 0.3516 0.4396
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0201 0.0229
Echinococcus multilocularis ferritin 0.0017 0.008 0.0054
Echinococcus granulosus cpg binding protein 0.0033 0.0275 0.0316
Schistosoma mansoni hypothetical protein 0.0016 0.0065 0.0008
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.05 0.0633
Loa Loa (eye worm) glutaminase 0.0292 0.3516 0.4439
Onchocerca volvulus 0.0029 0.023 0.0132
Brugia malayi Bromodomain containing protein 0.0039 0.0352 0.0446
Plasmodium falciparum pyruvate kinase 0.0642 0.7896 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0067 0.0706 0.08
Schistosoma mansoni glutaminase 0.0292 0.3516 0.4411
Schistosoma mansoni hypothetical protein 0.0016 0.0065 0.0008
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0646 0.0787
Schistosoma mansoni apoferritin-2 0.0017 0.008 0.0027
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0089 0.0039
Loa Loa (eye worm) hypothetical protein 0.0448 0.5466 0.6914
Schistosoma mansoni tar DNA-binding protein 0.0063 0.0656 0.0761
Loa Loa (eye worm) hypothetical protein 0.0045 0.0429 0.0518
Echinococcus granulosus dnaJ subfamily B 0.0417 0.508 0.6422
Onchocerca volvulus Pyruvate kinase homolog 0.0642 0.7896 1
Onchocerca volvulus Pyruvate kinase homolog 0.0642 0.7896 1
Echinococcus multilocularis lamin dm0 0.0027 0.0201 0.0175
Trypanosoma brucei pyruvate kinase 1, putative 0.0642 0.7896 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0706 0.0863
Schistosoma mansoni ferritin light chain 0.0017 0.008 0.0027
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0706 0.0825
Echinococcus granulosus pyruvate kinase 0.0329 0.3987 0.5032

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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