Detailed information for compound 15865

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424.49 | Formula: C24H28N2O5
  • H donors: 3 H acceptors: 5 LogP: 0.9 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1C[C@H](C[C@H]1C(=O)O)c1ccccc1)[C@@H](N[C@H](C(=O)O)CCc1ccccc1)C
  • InChi: 1S/C24H28N2O5/c1-16(25-20(23(28)29)13-12-17-8-4-2-5-9-17)22(27)26-15-19(14-21(26)24(30)31)18-10-6-3-7-11-18/h2-11,16,19-21,25H,12-15H2,1H3,(H,28,29)(H,30,31)/t16-,19-,20-,21-/m0/s1
  • InChiKey: DEASXJYDPZDEIU-FIRPJDEBSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Angiotensin-converting enzyme Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988
Loa Loa (eye worm) angiotensin-converting enzyme family protein Get druggable targets OG5_131988 All targets in OG5_131988

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 nicalin 0.0046 0.0435 0.0415
Loa Loa (eye worm) hypothetical protein 0.0019 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0042 0.0383 0.0383
Echinococcus multilocularis lamin dm0 0.0028 0.0198 0.0206
Onchocerca volvulus Fxna peptidase homolog 0.0046 0.0435 0.8965
Echinococcus multilocularis lamin 0.0028 0.0198 0.0206
Schistosoma mansoni cpg binding protein 0.003 0.0223 0.0203
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0152 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0152 0.5
Schistosoma mansoni bromodomain containing protein 0.0067 0.0721 0.0722
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0435 0.5
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0067 0.0226
Brugia malayi Bromodomain containing protein 0.0039 0.0349 0.033
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.0017 0.0042 0.0044
Schistosoma mansoni eyes absent homolog 0.0092 0.1068 0.1083
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0152 0.1432
Schistosoma mansoni cpg binding protein 0.0034 0.0273 0.0255
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0572 0.0595
Schistosoma mansoni hypothetical protein 0.0362 0.474 0.4909
Echinococcus multilocularis musashi 0.0028 0.0198 0.0206
Entamoeba histolytica acyl-CoA synthetase, putative 0.0025 0.0152 0.5
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0046 0.0435 0.5
Schistosoma mansoni lamin 0.0028 0.0198 0.0177
Brugia malayi mbt repeat family protein 0.0049 0.048 0.0461
Brugia malayi FXNA 0.0046 0.0435 0.0415
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.048 0.0499
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0062 0.0035
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0572 0.0595
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0053 0.0055
Brugia malayi PHD-finger family protein 0.0027 0.0186 0.0166
Loa Loa (eye worm) hypothetical protein 0.0073 0.0801 0.0801
Loa Loa (eye worm) hypothetical protein 0.0046 0.0435 0.0435
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.002 0.002
Schistosoma mansoni lamin 0.0028 0.0198 0.0177
Loa Loa (eye worm) hypothetical protein 0.0039 0.035 0.035
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.048 0.0471
Echinococcus multilocularis zinc finger protein 0.0022 0.0111 0.0116
Loa Loa (eye worm) hypothetical protein 0.0028 0.0191 0.0191
Schistosoma mansoni hypothetical protein 0.0297 0.386 0.3992
Schistosoma mansoni nicalin (M28 family) 0.0046 0.0435 0.0424
Schistosoma mansoni protease 0.0017 0.0042 0.0014
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0053 0.0055
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0046 0.0435 0.0452
Loa Loa (eye worm) hypothetical protein 0.0638 0.85 0.85
Schistosoma mansoni Fxna peptidase (M28 family) 0.0046 0.0435 0.0424
Trypanosoma brucei glutaminyl cyclase, putative 0.0046 0.0435 1
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0152 0.0132
Mycobacterium tuberculosis Conserved protein 0.0046 0.0435 0.6272
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0198 0.0198
Echinococcus granulosus intermediate filament protein 0.0028 0.0198 0.0206
Mycobacterium ulcerans hypothetical protein 0.0046 0.0435 0.6185
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0067 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0671 0.0697
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.048 0.0471
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0053 0.0026
Loa Loa (eye worm) hypothetical protein 0.0046 0.0435 0.0435
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0435 0.5
Loa Loa (eye worm) hypothetical protein 0.0102 0.1206 0.1206
Loa Loa (eye worm) hypothetical protein 0.0028 0.0198 0.0198
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0152 0.3041
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0152 0.1432
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0255 0.0235
Brugia malayi intermediate filament protein 0.0028 0.0198 0.0178
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0681 0.068
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0316 0.0328
Schistosoma mansoni hypothetical protein 0.0427 0.563 0.5837
Brugia malayi CXXC zinc finger family protein 0.003 0.0223 0.0203
Loa Loa (eye worm) hypothetical protein 0.0045 0.0433 0.0433
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0152 0.1432
Schistosoma mansoni hypothetical protein 0.0032 0.0255 0.0236
Echinococcus granulosus cpg binding protein 0.0034 0.0273 0.0284
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0067 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0018 0.0062 0.0064
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0152 0.1625
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0046 0.0435 0.0452
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0062 0.0662 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0067 0.0067
Schistosoma mansoni hypothetical protein 0.0362 0.474 0.4909
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0255 0.0235
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0152 0.1432
Echinococcus multilocularis cpg binding protein 0.0034 0.0273 0.0284
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0046 0.0435 0.0452
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.048 0.0471
Loa Loa (eye worm) hypothetical protein 0.0025 0.0152 0.0152
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0061 0.0061
Leishmania major glutaminyl cyclase, putative 0.0046 0.0435 1
Onchocerca volvulus Fxna peptidase homolog 0.0046 0.0435 0.8965
Onchocerca volvulus 0.0046 0.0435 0.8965
Echinococcus granulosus dnaJ subfamily B 0.0427 0.563 0.5849
Brugia malayi leucyl aminopeptidase 0.0046 0.0435 0.0415
Echinococcus multilocularis geminin 0.0362 0.474 0.4924
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.1206 0.1188
Toxoplasma gondii peptidase, M28 family protein 0.0046 0.0435 0.6781
Echinococcus granulosus GPCR family 2 0.0032 0.0255 0.0265
Schistosoma mansoni cpg binding protein 0.0034 0.0273 0.0255
Brugia malayi Bromodomain containing protein 0.0079 0.0884 0.0866
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0053 0.0026
Echinococcus granulosus e3 ubiquitin protein ligase RNF13 0.0017 0.0042 0.0044
Entamoeba histolytica acyl-coA synthetase, putative 0.0025 0.0152 0.5
Schistosoma mansoni hypothetical protein 0.0021 0.0103 0.0078
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0198 0.0198
Brugia malayi mbt repeat family protein 0.0049 0.048 0.0461
Brugia malayi Peptidase family M28 containing protein 0.0046 0.0435 0.0415
Schistosoma mansoni zinc finger protein 0.0022 0.0111 0.0086
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0316 0.0328
Echinococcus granulosus lamin dm0 0.0028 0.0198 0.0206
Schistosoma mansoni zinc finger protein 0.0017 0.0042 0.0014
Loa Loa (eye worm) hypothetical protein 0.0019 0.0067 0.0067
Echinococcus granulosus microtubule associated protein 2 0.0721 0.9626 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.1206 0.1188
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0766 0.0747
Trypanosoma cruzi glutaminyl cyclase, putative 0.0046 0.0435 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0572 0.0567
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.048 0.0499
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0152 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0152 0.1432
Loa Loa (eye worm) hypothetical protein 0.0092 0.1068 0.1068
Onchocerca volvulus Fxna peptidase homolog 0.0046 0.0435 0.8965
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0067 0.5
Onchocerca volvulus Glutaminyl cyclase homolog 0.0046 0.0435 0.8965
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.048 0.0499
Loa Loa (eye worm) hypothetical protein 0.0056 0.0572 0.0572
Loa Loa (eye worm) hypothetical protein 0.0701 0.9347 0.9347
Schistosoma mansoni hypothetical protein 0.007 0.0766 0.0769
Loa Loa (eye worm) leucyl aminopeptidase 0.0046 0.0435 0.0435
Echinococcus granulosus geminin 0.0362 0.474 0.4924
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0152 0.3041
Schistosoma mansoni intermediate filament proteins 0.0028 0.0198 0.0177
Schistosoma mansoni hypothetical protein 0.0032 0.0255 0.0236
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0046 0.0435 0.0452
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0448 0.5913 0.6131
Echinococcus multilocularis expressed protein 0.0017 0.0042 0.0044
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0152 0.1432
Echinococcus multilocularis GPCR, family 2 0.0032 0.0255 0.0265
Loa Loa (eye worm) hypothetical protein 0.0465 0.614 0.614
Schistosoma mansoni microtubule-associated protein tau 0.0721 0.9626 1
Onchocerca volvulus 0.0025 0.0152 0.251
Loa Loa (eye worm) hypothetical protein 0.0049 0.048 0.048
Echinococcus multilocularis microtubule associated protein 2 0.0721 0.9626 1
Echinococcus multilocularis e3 ubiquitin protein ligase RNF13 0.0017 0.0042 0.0044
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0255 0.0255
Loa Loa (eye worm) hypothetical protein 0.0025 0.0152 0.0152
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0255 0.0265
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0103 0.0103
Schistosoma mansoni mannosyl-oligosaccharidealpha-12-mannosidase-r el ated 0.0017 0.0042 0.0014
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0062 0.0035
Toxoplasma gondii hypothetical protein 0.0046 0.0435 0.6781
Trypanosoma brucei PA domain containing protein, putative 0.0017 0.0042 0.0335
Loa Loa (eye worm) hypothetical protein 0.0018 0.0062 0.0062
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0572 0.0553
Loa Loa (eye worm) PA domain-containing protein 0.0017 0.0042 0.0042
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0152 0.0132
Brugia malayi AMP-binding enzyme family protein 0.0025 0.0152 0.0132
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.1206 0.1206
Loa Loa (eye worm) hypothetical protein 0.0019 0.0067 0.0067
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0152 0.1625
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.2923 0.3036
Onchocerca volvulus 0.0028 0.0198 0.3567
Echinococcus granulosus expressed protein 0.0017 0.0042 0.0044
Loa Loa (eye worm) hypothetical protein 0.0092 0.1068 0.1068
Echinococcus multilocularis dnaJ subfamily B 0.0427 0.563 0.5849
Loa Loa (eye worm) hypothetical protein 0.0046 0.0435 0.0435
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0572 0.0595
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0223 0.0223
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.0153 0.013
Trypanosoma cruzi glutaminyl cyclase, putative 0.0046 0.0435 1
Loa Loa (eye worm) hypothetical protein 0.0228 0.2923 0.2923
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0671 0.0697
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0449 0.0429
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0062 0.0662 1
Echinococcus multilocularis er degradation enhancing alpha mannosidase er degradation enhancer mannosidase alpha 0.0017 0.0042 0.0044
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0198 0.0178
Brugia malayi hypothetical protein 0.0228 0.2923 0.2908
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0193 0.2437 0.2532
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.048 0.0499
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.0153 0.0159
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0749 1 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0572 0.0595
Onchocerca volvulus 0.0047 0.0449 0.9283
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0193 0.2437 0.2532
Loa Loa (eye worm) MBCTL1 0.0056 0.0572 0.0572
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0152 0.1432
Mycobacterium ulcerans hypothetical protein 0.0025 0.0152 0.1432
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.2923 0.3036
Schistosoma mansoni hypothetical protein 0.0047 0.0449 0.0438
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.048 1
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.048 0.048
Schistosoma mansoni zinc finger protein 0.0017 0.0042 0.0014
Onchocerca volvulus 0.0049 0.048 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0255 0.0265
Schistosoma mansoni survival motor neuron protein 0.0047 0.0449 0.0438
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.0153 0.0159
Echinococcus granulosus lamin 0.0028 0.0198 0.0206
Echinococcus granulosus zinc finger protein 0.0022 0.0111 0.0116
Onchocerca volvulus 0.0028 0.0198 0.3567
Loa Loa (eye worm) hypothetical protein 0.0032 0.0255 0.0255
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0684 0.912 0.9475
Loa Loa (eye worm) hypothetical protein 0.007 0.0766 0.0766
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0046 0.0435 0.0452
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0255 0.0265
Brugia malayi PA domain containing protein 0.0017 0.0042 0.0022
Onchocerca volvulus 0.003 0.0223 0.4135
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0046 0.0435 0.0424
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0435 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0255 0.0265
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0152 0.3041
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0046 0.0435 0.0424
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0046 0.0435 0.0452
Loa Loa (eye worm) hypothetical protein 0.0019 0.0067 0.0067
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0018 0.0062 0.0064
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0622 1
Brugia malayi hypothetical protein 0.0092 0.1068 0.105
Loa Loa (eye worm) hypothetical protein 0.0025 0.0152 0.0152
Schistosoma mansoni hypothetical protein 0.0032 0.0255 0.0236
Leishmania major hypothetical protein, conserved 0.0046 0.0435 1
Schistosoma mansoni hypothetical protein 0.0032 0.0255 0.0236

Activities

Activity type Activity value Assay description Source Reference
I50 (binding) = 5 nM In vitro inhibitory activity against angiotensin I converting enzyme of rats. ChEMBL. 2836590
IC50 (binding) = 5 nM In vitro inhibitory activity against angiotensin I converting enzyme of rats. ChEMBL. 2836590

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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