Detailed information for compound 1489843

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 461.596 | Formula: C28H35N3O3
  • H donors: 2 H acceptors: 2 LogP: 2.8 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCNC1COc2ccccc2c2n(C1)c1cc(ccc1c2C1CCCCC1)C(=O)O)C
  • InChi: 1S/C28H35N3O3/c1-30(2)15-14-29-21-17-31-24-16-20(28(32)33)12-13-22(24)26(19-8-4-3-5-9-19)27(31)23-10-6-7-11-25(23)34-18-21/h6-7,10-13,16,19,21,29H,3-5,8-9,14-15,17-18H2,1-2H3,(H,32,33)
  • InChiKey: NUQPORRFDWAOGN-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
Onchocerca volvulus Matrilysin homolog 0.0026 0.0315 0.0133
Brugia malayi Carboxylesterase family protein 0.0022 0.0185 0.0185
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0022 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0032 0.0506 0.0506
Echinococcus multilocularis acylamino acid releasing enzyme 0.0033 0.0549 0.0549
Schistosoma mansoni hypothetical protein 0.0037 0.068 0.068
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0033 0.0549 0.0549
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0189 0.091
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0189 0.0189
Schistosoma mansoni ap endonuclease 0.0023 0.0189 0.0189
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0033 0.0549 0.0367
Echinococcus granulosus GPCR family 2 0.0019 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0019 0.0068 0.0068
Trypanosoma brucei oligopeptidase b 0.0127 0.3641 0.3518
Echinococcus granulosus acylamino acid releasing enzyme 0.0033 0.0549 0.0549
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0549 0.0367
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0127 0.3641 0.3969
Echinococcus granulosus plexin a4 0.002 0.0102 0.0102
Brugia malayi Matrixin family protein 0.0026 0.0315 0.0315
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0026 0.0315 0.0315
Loa Loa (eye worm) hypothetical protein 0.0074 0.189 0.189
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0032 0.0506 0.0369
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0026 0.0315 0.0315
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0189 0.0005
Loa Loa (eye worm) hypothetical protein 0.0132 0.3837 0.3837
Leishmania major oligopeptidase b 0.0127 0.3641 0.3518
Loa Loa (eye worm) matrix metalloproteinase 0.0026 0.0315 0.0315
Onchocerca volvulus Prolyl endopeptidase homolog 0.0318 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0025 0.0259 0.0259
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0132 0.3837 0.3837
Onchocerca volvulus 0.0026 0.0315 0.0133
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0032 0.0506 0.0506
Trichomonas vaginalis spcc417.12 protein, putative 0.0022 0.0185 0.0889
Mycobacterium tuberculosis Probable peptidase 0.0127 0.3641 0.3969
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0189 0.0013
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0096 0.2618 0.2618
Schistosoma mansoni hypothetical protein 0.0019 0.0068 0.0068
Brugia malayi hypothetical protein 0.0022 0.0185 0.0185
Brugia malayi prolyl oligopeptidase family protein 0.0033 0.0549 0.0549
Schistosoma mansoni acylaminoacyl-peptidase (S09 family) 0.0033 0.0549 0.0549
Brugia malayi Matrixin family protein 0.0026 0.0315 0.0315
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0127 0.3641 0.3518
Echinococcus multilocularis BC026374 protein (S09 family) 0.0022 0.0185 0.0185
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0022 0.0185 0.0889
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0068 0.0068
Schistosoma mansoni neuroligin 3 (S09 family) 0.0022 0.0185 0.0185
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0549 0.0367
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0033 0.0549 0.2645
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0127 0.3641 1
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0285 0.8893 1
Echinococcus granulosus acetylcholinesterase 0.0132 0.3837 0.3837
Loa Loa (eye worm) hypothetical protein 0.0022 0.0185 0.0185
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0127 0.3641 0.3518
Loa Loa (eye worm) prolyl oligopeptidase 0.0033 0.0549 0.0549
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0033 0.0549 1
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0318 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.006 0.1422 0.1422
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1422 0.1422
Echinococcus multilocularis carboxylesterase 5A 0.0132 0.3837 0.3837
Echinococcus multilocularis para nitrobenzyl esterase 0.0022 0.0185 0.0185
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0068 0.0068
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0022 0.0185 0.0185
Loa Loa (eye worm) carboxylesterase 0.0132 0.3837 0.3837
Schistosoma mansoni acetylcholinesterase 0.0022 0.0185 0.0185
Echinococcus multilocularis GPCR, family 2 0.0019 0.0068 0.0068
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0068 0.0068
Schistosoma mansoni voltage-gated potassium channel 0.0093 0.2521 0.2521
Loa Loa (eye worm) plexin A 0.002 0.0102 0.0102
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0185 0.0185
Loa Loa (eye worm) prolyl oligopeptidase 0.0033 0.0549 0.0549
Loa Loa (eye worm) hypothetical protein 0.0022 0.0185 0.0185
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0033 0.0549 0.0372
Loa Loa (eye worm) carboxylesterase 0.0022 0.0185 0.0185
Echinococcus granulosus prolyl endopeptidase 0.0318 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0189 0.5
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0033 0.0549 0.0367
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0033 0.0549 0.0367
Onchocerca volvulus Matrix metalloproteinase homolog 0.0058 0.1379 0.1217
Entamoeba histolytica prolyl oligopeptidase family protein 0.0033 0.0549 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0132 0.3837 0.3837
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0127 0.3641 0.3518
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0318 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0085 0.2262 0.2262
Brugia malayi Carboxylesterase family protein 0.0132 0.3837 0.3837
Brugia malayi Carboxylesterase family protein 0.0022 0.0185 0.0185
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0127 0.3641 1
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0025 0.0259 0.0259
Mycobacterium ulcerans hydrolase 0.0032 0.0506 0.0929
Trypanosoma cruzi oligopeptidase b 0.0127 0.3641 0.3518
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0259 0.0259
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0185 0.0185
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0026 0.0315 0.0315
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0259 0.0259
Echinococcus granulosus voltage gated potassium channel 0.0025 0.0259 0.0259
Schistosoma mansoni hypothetical protein 0.0041 0.0795 0.0795
Onchocerca volvulus 0.0037 0.068 0.0505
Entamoeba histolytica prolyl oligopeptidase family protein 0.0033 0.0549 1
Entamoeba histolytica dipeptidyl-peptidase, putative 0.0033 0.0549 1
Brugia malayi Matrixin family protein 0.0064 0.1554 0.1554
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0033 0.0549 0.0367
Trypanosoma brucei prolyl endopeptidase 0.0318 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0025 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0022 0.0185 0.0185
Echinococcus granulosus neuroligin 0.0022 0.0185 0.0185
Trypanosoma brucei prolyl oligopeptidase, putative 0.0127 0.3641 0.3518
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0022 0.0185 0.0185
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0019 0.0068 0.0068
Brugia malayi prolyl oligopeptidase family protein 0.0033 0.0549 0.0549
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0085 0.2262 0.2262
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0033 0.0549 0.0549
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0549 1
Trichomonas vaginalis Clan SC, family S9, acylaminoacyl-peptidase-like serine peptidase 0.0033 0.0549 0.2645
Entamoeba histolytica prolyl oligopeptidase family protein 0.0033 0.0549 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0085 0.2262 0.2262
Loa Loa (eye worm) hypothetical protein 0.0033 0.0549 0.0549
Trypanosoma cruzi prolyl endopeptidase 0.0318 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0318 1 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0085 0.2262 0.2262
Plasmodium falciparum peptidase, putative 0.0033 0.0549 1
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0033 0.0549 0.0367
Trypanosoma cruzi oligopeptidase b 0.0127 0.3641 0.3518
Echinococcus multilocularis voltage gated potassium channel 0.0025 0.0259 0.0259
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0189 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0093 0.2521 0.2521
Giardia lamblia Alanyl dipeptidyl peptidase 0.0033 0.0549 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1422 0.1422
Onchocerca volvulus Matrilysin homolog 0.0058 0.1379 0.1217
Echinococcus multilocularis plexin a4 0.002 0.0102 0.0102
Echinococcus granulosus BC026374 protein S09 family 0.0022 0.0185 0.0185
Brugia malayi prolyl oligopeptidase family protein 0.0033 0.0549 0.0549
Entamoeba histolytica hypothetical protein, conserved 0.0033 0.0549 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0189 0.0189
Loa Loa (eye worm) hypothetical protein 0.0022 0.0185 0.0185
Giardia lamblia Alanyl dipeptidyl peptidase 0.0033 0.0549 1
Toxoplasma gondii hypothetical protein 0.0033 0.0549 0.0367
Brugia malayi plexin A 0.002 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0025 0.0259 0.0259
Brugia malayi prolyl oligopeptidase family protein 0.0033 0.0549 0.0549
Brugia malayi Hemopexin family protein 0.0037 0.068 0.068
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0033 0.0549 0.0549
Echinococcus granulosus para nitrobenzyl esterase 0.0022 0.0185 0.0185
Brugia malayi Matrixin family protein 0.0026 0.0315 0.0315
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0022 0.0185 0.0185
Toxoplasma gondii acylaminoacyl-peptidase, putative 0.0033 0.0549 0.0367
Echinococcus granulosus carboxylesterase 5A 0.0132 0.3837 0.3837
Schistosoma mansoni hypothetical protein 0.0019 0.0068 0.0068
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0189 0.0189
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0079 0.2077 1
Echinococcus granulosus Dipeptidyl peptidase 9 0.0033 0.0549 0.0549
Loa Loa (eye worm) hypothetical protein 0.0022 0.0185 0.0185
Loa Loa (eye worm) hypothetical protein 0.0019 0.0068 0.0068
Brugia malayi Carboxylesterase family protein 0.0022 0.0185 0.0185
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0033 0.0549 0.0367
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0549 0.2645
Schistosoma mansoni BC026374 protein (S09 family) 0.0022 0.0185 0.0185
Echinococcus multilocularis acetylcholinesterase 0.0132 0.3837 0.3837
Echinococcus multilocularis acetylcholinesterase 0.0132 0.3837 0.3837
Toxoplasma gondii prolyl endopeptidase 0.0318 1 1
Loa Loa (eye worm) matrixin family protein 0.0058 0.1379 0.1379
Loa Loa (eye worm) matrixin family protein 0.0064 0.1554 0.1554
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0033 0.0549 0.0367
Brugia malayi Carboxylesterase family protein 0.0022 0.0185 0.0185
Schistosoma mansoni gliotactin 0.0022 0.0185 0.0185
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0795 0.0795
Echinococcus multilocularis prolyl endopeptidase 0.0318 1 1
Loa Loa (eye worm) hypothetical protein 0.0132 0.3837 0.3837
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0189 0.091
Echinococcus multilocularis neuroligin 0.0022 0.0185 0.0185
Brugia malayi Carboxylesterase family protein 0.0132 0.3837 0.3837
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0033 0.0549 0.0549
Brugia malayi Matrixin family protein 0.0026 0.0315 0.0315
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0033 0.0549 0.0549
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0033 0.0549 0.0549
Loa Loa (eye worm) hypothetical protein 0.0318 1 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0096 0.2618 0.2618
Loa Loa (eye worm) hypothetical protein 0.0041 0.0795 0.0795
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0033 0.0549 0.0549
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0127 0.3641 0.3518
Echinococcus granulosus acetylcholinesterase 0.0132 0.3837 0.3837
Loa Loa (eye worm) carboxylesterase 0.0022 0.0185 0.0185
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0079 0.2077 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0315 0.0315
Loa Loa (eye worm) hypothetical protein 0.0022 0.0185 0.0185
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1422 0.1422

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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