Detailed information for compound 957203

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 458.552 | Formula: C27H30N4O3
  • H donors: 0 H acceptors: 3 LogP: 2.86 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCC[C@H]1C(=O)N1CCCC1)CCCn1c2ccccc2nc(c1=O)c1ccccc1
  • InChi: 1S/C27H30N4O3/c32-24(30-18-8-14-23(30)26(33)29-16-6-7-17-29)15-9-19-31-22-13-5-4-12-21(22)28-25(27(31)34)20-10-2-1-3-11-20/h1-5,10-13,23H,6-9,14-19H2/t23-/m0/s1
  • InChiKey: OEVPYVQXCBNLMU-QHCPKHFHSA-N  


Substructure search Similarity search

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 Prolyl endopeptidase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Brugia malayi prolyl oligopeptidase family protein Get druggable targets OG5_129295 All targets in OG5_129295
Schistosoma japonicum Prolyl endopeptidase, putative Get druggable targets OG5_129295 All targets in OG5_129295
Onchocerca volvulus Prolyl endopeptidase homolog Get druggable targets OG5_129295 All targets in OG5_129295
Schistosoma mansoni prolyl oligopeptidase (S09 family) Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma congolense prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma brucei prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Leishmania infantum prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative Get druggable targets OG5_129295 All targets in OG5_129295
Leishmania mexicana prolyl oligopeptidase, putative Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma brucei gambiense prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative Get druggable targets OG5_129295 All targets in OG5_129295
Toxoplasma gondii prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Neospora caninum Prolyl oligopeptidase (EC 3.4.21.26) (Precursor), related Get druggable targets OG5_129295 All targets in OG5_129295
Schistosoma japonicum ko:K01322 prolyl oligopeptidase [EC3.4.21.26], putative Get druggable targets OG5_129295 All targets in OG5_129295
Schistosoma mansoni prolyl oligopeptidase (S09 family) Get druggable targets OG5_129295 All targets in OG5_129295
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) Get druggable targets OG5_129295 All targets in OG5_129295
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129295 All targets in OG5_129295
Trypanosoma cruzi prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Echinococcus granulosus prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Leishmania donovani prolyl endopeptidase Get druggable targets OG5_129295 All targets in OG5_129295
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative Get druggable targets OG5_129295 All targets in OG5_129295
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum oligopeptidase B Prolyl endopeptidase   710 aa 716 aa 23.3 %
Trypanosoma cruzi oligopeptidase b Prolyl endopeptidase   710 aa 719 aa 25.7 %
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB Prolyl endopeptidase   710 aa 713 aa 26.4 %
Leishmania donovani oligopeptidase b Prolyl endopeptidase   710 aa 720 aa 25.1 %
Trypanosoma brucei oligopeptidase b Prolyl endopeptidase   710 aa 626 aa 27.2 %
Trypanosoma brucei gambiense oligopeptidase B, putative Prolyl endopeptidase   710 aa 626 aa 27.2 %
Leishmania major oligopeptidase b Prolyl endopeptidase   710 aa 718 aa 25.2 %
Leishmania infantum oligopeptidase b;with=GeneDB:LmjF09.0770 Prolyl endopeptidase   710 aa 720 aa 25.1 %
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) Prolyl endopeptidase   710 aa 735 aa 25.6 %
Leishmania mexicana oligopeptidase b,serine peptidase, clan SC, family S9A-like protein Prolyl endopeptidase   710 aa 723 aa 24.6 %
Trypanosoma cruzi oligopeptidase b Prolyl endopeptidase   710 aa 719 aa 25.7 %
Onchocerca volvulus Prolyl endopeptidase   710 aa 724 aa 46.7 %
Leishmania braziliensis oligopeptidase b;with=GeneDB:LmjF09.0770 Prolyl endopeptidase   710 aa 600 aa 25.7 %
Trypanosoma congolense oligopeptidase b Prolyl endopeptidase   710 aa 588 aa 27.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.0846 0.0846
Leishmania major hypothetical protein, conserved 0.0075 0.0846 0.3097
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0063 0.0572 0.2095
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.0846 0.0846
Mycobacterium tuberculosis Conserved protein 0.0075 0.0846 0.0846
Loa Loa (eye worm) hypothetical protein 0.0158 0.2731 1
Mycobacterium tuberculosis Conserved protein 0.0075 0.0846 0.0846
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.0846 0.0846
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0086 0.1093 0.1093
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0086 0.1093 0.7057
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0158 0.2731 1
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0846 0.5
Plasmodium falciparum thioredoxin reductase 0.0038 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0846 0.3097
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0846 0.3097
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0086 0.1093 0.1093
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0063 0.0572 0.2095
Loa Loa (eye worm) hypothetical protein 0.0075 0.0846 0.3097
Trypanosoma brucei oligopeptidase b 0.0063 0.0572 0.2095
Loa Loa (eye worm) hypothetical protein 0.0075 0.0846 0.3097
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0846 0.3068
Trypanosoma brucei prolyl endopeptidase 0.0158 0.2731 1
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0846 0.5
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.0846 0.0846
Trypanosoma cruzi oligopeptidase b 0.0063 0.0572 0.2095
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.0846 1
Mycobacterium leprae conserved hypothetical protein 0.0075 0.0846 0.3709
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.0846 0.0846
Mycobacterium ulcerans beta-lactamase 0.0075 0.0846 1
Onchocerca volvulus Prolyl endopeptidase homolog 0.0158 0.2731 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0846 0.5
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0095 0.131 0.131
Brugia malayi prolyl oligopeptidase family protein 0.0158 0.2731 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0095 0.131 0.131
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0846 0.3097
Trypanosoma cruzi oligopeptidase b 0.0063 0.0572 0.2095
Mycobacterium leprae Probable lipase LipE 0.0075 0.0846 0.3709
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0158 0.2731 1
Trypanosoma cruzi prolyl endopeptidase 0.0158 0.2731 1
Mycobacterium tuberculosis Conserved protein 0.0075 0.0846 0.0846
Toxoplasma gondii prolyl endopeptidase 0.0158 0.2731 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0846 0.3097
Toxoplasma gondii ABC1 family protein 0.0075 0.0846 0.3097
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0142 0.2355 0.2355
Loa Loa (eye worm) beta-lactamase 0.0075 0.0846 0.3097
Mycobacterium tuberculosis Probable oxidoreductase 0.0095 0.131 0.131
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0846 0.5
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0063 0.0572 0.2095
Trypanosoma brucei prolyl oligopeptidase, putative 0.0063 0.0572 0.2095
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0063 0.0572 0.2095
Brugia malayi beta-lactamase 0.0075 0.0846 0.3097
Mycobacterium ulcerans hypothetical protein 0.0075 0.0846 1
Leishmania major oligopeptidase b 0.0063 0.0572 0.2095
Mycobacterium ulcerans lipase LipD 0.0075 0.0846 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0846 0.3097
Mycobacterium tuberculosis Probable reductase 0.0086 0.1093 0.1093
Trichomonas vaginalis esterase, putative 0.0075 0.0846 0.5
Plasmodium falciparum glutathione reductase 0.0038 0 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0086 0.1093 0.1093
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0063 0.0572 0.0572
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.0846 0.0846
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.0846 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0158 0.2731 1
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.0846 0.0846
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0846 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0086 0.1093 0.1093
Loa Loa (eye worm) hypothetical protein 0.0075 0.0846 0.3097
Echinococcus granulosus prolyl endopeptidase 0.0158 0.2731 1
Mycobacterium tuberculosis Probable peptidase 0.0063 0.0572 0.0572
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0086 0.1093 0.1093
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0846 0.3068
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0846 0.3097
Loa Loa (eye worm) hypothetical protein 0.0075 0.0846 0.3097
Brugia malayi beta-lactamase family protein 0.0075 0.0846 0.3097
Brugia malayi beta-lactamase family protein 0.0075 0.0846 0.3097
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0846 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0095 0.131 1
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0846 0.3097
Echinococcus multilocularis prolyl endopeptidase 0.0158 0.2731 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 59 nM Inhibition of POP in Sprague-Dawley rat brain homogenates ChEMBL. 19006380

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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