Detailed information for compound 585568

Basic information

Technical information
  • TDR Targets ID: 585568
  • Name: 2-[[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-p ropyl]amino]propanoyl]-indan-2-yl-amino]aceti c acid hydrochloride
  • MW: 489.004 | Formula: C26H33ClN2O5
  • H donors: 2 H acceptors: 4 LogP: 2.53 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)[C@@H](N[C@H](C(=O)N(C1Cc2c(C1)cccc2)CC(=O)O)C)CCc1ccccc1.Cl
  • InChi: 1S/C26H32N2O5.ClH/c1-3-33-26(32)23(14-13-19-9-5-4-6-10-19)27-18(2)25(31)28(17-24(29)30)22-15-20-11-7-8-12-21(20)16-22;/h4-12,18,22-23,27H,3,13-17H2,1-2H3,(H,29,30);1H/t18-,23-;/m0./s1
  • InChiKey: FDJCVHVKXFIEPJ-JCNFZFLDSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenylpropyl]amino]-1-oxopropyl]-(2-indanyl)amino]acetic acid hydrochloride
  • 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenyl-butan-2-yl]amino]propanoyl]amino]ethanoic acid hydrochloride
  • 2-[[(2S)-2-[[(1S)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]-indan-2-yl-amino]acetic acid hydrochloride
  • 2-[2,3-dihydro-1H-inden-2-yl-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]amino]acetic acid hydrochloride
  • delapril
  • 119543-18-9
  • 83435-67-0
  • CCRIS 1925
  • CV 3317
  • DELAPRIL HYDROCHLORIDE
  • Delapril hydrochloride [USAN:JAN]
  • Ethyl (S)-2-(((S)-1-((carboxymethyl)-2-indanylcarbamoyl)ethyl)amino)-4-phenylbutyrate, monohydrochloride
  • Glycine, N-((1S)-1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl-N-(2,3-dihydro-1H-inden-2-yl)-, monohydrochloride
  • Glycine, N-(2,3-dihydro-1H-inden-2-yl)-N-(N-(1-(ethoxycarbonyl)-3-phenylpropyl)-L-alanyl)-, monohydrochloride, (S)-
  • N-(N-((S)-1-Ethoxycarbonyl-3-phenylpropyl)-L-alanyl)-N-(indan-2-yl)glycine hydrochloride
  • REV 6000A
  • Adecut
  • Adecut (TN)
  • D01667
  • Delapril hydrochloride (JAN/USAN)
  • CV-3317
  • Cupressin
  • Delaket
  • REV-6000A

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
Mycobacterium leprae Conserved hypothetical protein 0.0044 0.2511 0.5922
Plasmodium falciparum aldo-keto reductase, putative 0.0018 0.0594 1
Plasmodium falciparum aldehyde reductase, putative 0.0018 0.0594 1
Onchocerca volvulus 0.0061 0.383 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0061 0.383 1
Onchocerca volvulus 0.0018 0.0594 0.1551
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.3598 0.9393
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2559 0.668
Brugia malayi jmjC domain containing protein 0.0058 0.3598 0.3598
Brugia malayi NADH-dependent xylose reductase 0.0018 0.0594 0.0594
Echinococcus granulosus jumonji domain containing 1A 0.0016 0.0427 0.0427
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.383 1
Trypanosoma cruzi aldo-keto reductase 0.0061 0.383 1
Entamoeba histolytica aldose reductase, putative 0.0061 0.383 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.383 1
Echinococcus multilocularis muscleblind protein 0.0145 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.383 0.383
Echinococcus granulosus hypothetical protein 0.0061 0.383 0.383
Echinococcus granulosus aldo keto reductase 0.0061 0.383 0.383
Brugia malayi jmjC domain containing protein 0.0058 0.3598 0.3598
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0061 0.383 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0061 0.383 1
Brugia malayi jmjC domain containing protein 0.0016 0.0427 0.0427
Toxoplasma gondii aldose reductase, putative 0.0061 0.383 1
Giardia lamblia Aldose reductase 0.0061 0.383 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0427 0.0427
Toxoplasma gondii aldo-keto reductase 0.0018 0.0594 0.049
Echinococcus multilocularis jumonji domain containing 1A 0.0016 0.0427 0.0427
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.383 0.383
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.3598 0.3598
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.3598 0.3598
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0018 0.0594 0.0594
Echinococcus multilocularis aldo keto reductase 0.0061 0.383 0.383
Brugia malayi jmjC domain containing protein 0.0016 0.0427 0.0427
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.383 0.383
Brugia malayi jmjC domain containing protein 0.0016 0.0427 0.0427
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.2559 0.2559
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.383 0.383
Loa Loa (eye worm) hypothetical protein 0.0016 0.0427 0.0427
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2559 0.668
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.383 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.383 1
Onchocerca volvulus 0.0061 0.383 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0061 0.383 0.383
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0016 0.0427 0.0427
Loa Loa (eye worm) hypothetical protein 0.0016 0.0427 0.0427
Echinococcus granulosus phd:f box containing protein 0.0016 0.0427 0.0427
Echinococcus multilocularis phd:f box containing protein 0.0016 0.0427 0.0427
Schistosoma mansoni phosphatidylserine receptor 0.0016 0.0427 0.1115
Echinococcus multilocularis aldo keto reductase 0.0061 0.383 0.383
Trypanosoma brucei aldo/keto reductase, putative 0.0018 0.0594 0.049
Entamoeba histolytica aldose reductase, putative 0.0061 0.383 1
Schistosoma mansoni aldo-keto reductase 0.0061 0.383 1
Schistosoma mansoni jumonji domain containing protein 0.0016 0.0427 0.1115
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.383 0.383
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0061 0.383 0.383
Trypanosoma brucei aldo-keto reductase, putative 0.0061 0.383 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.383 1
Schistosoma mansoni aldo-keto reductase 0.0061 0.383 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0018 0.0594 0.0594
Echinococcus multilocularis aldehyde reductase 0.0044 0.2511 0.2511
Loa Loa (eye worm) oxidoreductase 0.0061 0.383 0.383
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.383 0.383
Schistosoma mansoni phd/f-box containing protein 0.0016 0.0427 0.1115
Plasmodium vivax aldehyde reductase, putative 0.0018 0.0594 1
Loa Loa (eye worm) hypothetical protein 0.0061 0.383 0.383
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.3598 0.3598
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.383 0.383
Trypanosoma cruzi aldo/keto reductase, putative 0.0061 0.383 1
Schistosoma mansoni pol-related 0.0061 0.383 1
Echinococcus granulosus aldo keto reductase 0.0061 0.383 0.383
Echinococcus multilocularis aldo keto reductase 0.0061 0.383 0.383
Echinococcus granulosus muscleblind protein 0.0145 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.383 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0061 0.383 1
Loa Loa (eye worm) oxidoreductase 0.0061 0.383 0.383
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.2559 0.2559
Schistosoma mansoni jumonji domain containing protein 0.0058 0.3598 0.9393
Echinococcus multilocularis voltage gated potassium channel subunit 0.0018 0.0594 0.0594
Onchocerca volvulus 0.0061 0.383 1
Schistosoma mansoni protein phosphatase 2C 0.0016 0.0427 0.1115
Loa Loa (eye worm) hypothetical protein 0.0016 0.0427 0.0427
Echinococcus multilocularis lysine specific demethylase 6a 0.0016 0.0427 0.0427
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.383 0.383
Giardia lamblia Aldose reductase 0.0061 0.383 0.5
Echinococcus granulosus JmjC domain containing protein 4 0.0016 0.0427 0.0427
Leishmania major aldo-keto reductase-like protein 0.0061 0.383 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.3598 0.9393
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.383 0.383
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.383 0.383
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.383 0.383
Trichomonas vaginalis aldo/keto reductase, putative 0.0061 0.383 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2559 0.668
Loa Loa (eye worm) oxidoreductase 0.0061 0.383 0.383
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.383 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.383 0.383
Echinococcus granulosus aldehyde reductase 0.0044 0.2511 0.2511
Entamoeba histolytica aldose reductase, putative 0.0061 0.383 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0018 0.0594 0.049
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0061 0.383 1
Leishmania major prostaglandin f synthase, putative 0.0061 0.383 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0061 0.383 0.383
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.383 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.383 0.383
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.3598 0.3598
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0427 0.0427
Echinococcus granulosus lysine specific demethylase 6a 0.0016 0.0427 0.0427
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0061 0.383 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.383 0.383
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0061 0.383 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.2559 0.2559
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0061 0.383 0.383
Onchocerca volvulus 0.0061 0.383 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0061 0.383 1
Onchocerca volvulus 0.0061 0.383 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.3598 0.3598
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.383 0.383
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.2559 0.2559
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.0018 0.0594 0.049
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0018 0.0594 0.0594
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.383 0.383
Loa Loa (eye worm) hypothetical protein 0.0145 1 1
Echinococcus granulosus aldo keto reductase 0.0061 0.383 0.383
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.383 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0061 0.383 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0018 0.0594 1
Echinococcus multilocularis aldo keto reductase 0.0061 0.383 0.383
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.383 0.383
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.0018 0.0594 0.049
Echinococcus granulosus voltage gated potassium channel subunit 0.0018 0.0594 0.0594
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0016 0.0427 0.0427
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.2559 0.2559
Onchocerca volvulus 0.0061 0.383 1
Loa Loa (eye worm) oxidoreductase 0.0061 0.383 0.383
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.383 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.383 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.0018 0.0594 0.049
Echinococcus multilocularis JmjC domain containing protein 4 0.0016 0.0427 0.0427
Mycobacterium ulcerans oxidoreductase 0.0061 0.383 1
Brugia malayi jmjC domain containing protein 0.0016 0.0427 0.0427
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.383 0.383
Trypanosoma brucei prostaglandin f synthase 0.0061 0.383 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0427 0.0427
Schistosoma mansoni potassium channel beta 0.0018 0.0594 0.1551
Echinococcus multilocularis muscleblind protein 1 0.0145 1 1
Loa Loa (eye worm) oxidoreductase 0.0061 0.383 0.383
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.2559 0.2559
Trichomonas vaginalis aldo-keto reductase, putative 0.0061 0.383 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0061 0.383 0.383
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0016 0.0427 0.1115
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0061 0.383 0.383

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 23.9145 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 33.4889 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the peroxisome proliferator-activated receptor delta (PPARd) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.