Detailed information for compound 1144609

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.391 | Formula: C21H18N4O5
  • H donors: 1 H acceptors: 5 LogP: 2.61 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)COc1cccc(c1)c1nc(N2CCOCC2)c2c(n1)c1cccnc1o2
  • InChi: 1S/C21H18N4O5/c26-16(27)12-29-14-4-1-3-13(11-14)19-23-17-15-5-2-6-22-21(15)30-18(17)20(24-19)25-7-9-28-10-8-25/h1-6,11H,7-10,12H2,(H,26,27)
  • InChiKey: ZOFFAGHBGPHINF-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
Mycobacterium tuberculosis Probable dehydrogenase 0.0092 0.2838 0.8342
Loa Loa (eye worm) hypothetical protein 0.0068 0.1781 0.192
Schistosoma mansoni tar DNA-binding protein 0.0193 0.7349 1
Brugia malayi TAR-binding protein 0.0193 0.7349 0.8486
Leishmania major DNA polymerase eta, putative 0.0068 0.1781 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0142 0.5057 0.5783
Schistosoma mansoni terminal deoxycytidyl transferase 0.0041 0.057 0.0578
Mycobacterium tuberculosis Probable oxidoreductase 0.0102 0.3296 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.5057 0.6815
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.057 0.5
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0557 0.0561
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.057 0.3199
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.057 0.0491
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.057 0.3199
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0102 0.3296 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.1105 0.1122
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.057 0.3199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.5057 0.6815
Echinococcus granulosus dna polymerase eta 0.0068 0.1781 0.2318
Echinococcus granulosus tar DNA binding protein 0.0193 0.7349 1
Brugia malayi RNA recognition motif domain containing protein 0.0193 0.7349 0.8486
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.057 0.3199
Trypanosoma brucei DNA polymerase eta, putative 0.0068 0.1781 1
Echinococcus multilocularis dna polymerase kappa 0.0041 0.057 0.0578
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.057 0.3199
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0533 0.0141
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.057 0.3199
Schistosoma mansoni tar DNA-binding protein 0.0193 0.7349 1
Brugia malayi Pre-SET motif family protein 0.0222 0.8632 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.057 0.3199
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.057 0.043
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.5057 0.6838
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0142 0.5057 0.5783
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0041 0.057 0.0578
Schistosoma mansoni tar DNA-binding protein 0.0193 0.7349 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.057 0.3199
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0142 0.5057 0.6838
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0193 0.7349 0.8486
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0102 0.3296 1
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.057 0.3199
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.8632 1
Loa Loa (eye worm) RNA binding protein 0.0193 0.7349 0.8486
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.057 0.3199
Brugia malayi RNA binding protein 0.0193 0.7349 0.8486
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.057 0.0132
Plasmodium falciparum thioredoxin reductase 0.004 0.0533 0.5
Toxoplasma gondii ImpB/MucB/SamB family protein 0.004 0.0515 0.953
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.057 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0041 0.057 0.0646
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.057 0.3199
Brugia malayi Thioredoxin reductase 0.004 0.0533 0.0447
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0355 0.0237
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.1105 0.1122
Schistosoma mansoni hypothetical protein 0.0036 0.0355 0.0279
Schistosoma mansoni tar DNA-binding protein 0.0193 0.7349 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.5057 0.6815
Toxoplasma gondii thioredoxin reductase 0.004 0.0533 1
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.057 0.3199
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0092 0.2838 0.8342
Brugia malayi ImpB/MucB/SamB family protein 0.0068 0.1781 0.192
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0092 0.2838 0.8342
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0142 0.5057 0.6815
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0041 0.057 0.0132
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0041 0.057 0.043
Plasmodium falciparum glutathione reductase 0.004 0.0533 0.5
Echinococcus multilocularis dna polymerase eta 0.0068 0.1781 0.2262
Entamoeba histolytica deoxycytidyl transferase, putative 0.0041 0.057 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0041 0.057 0.0578
Loa Loa (eye worm) glutathione reductase 0.004 0.0533 0.0447
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0092 0.2838 0.8342
Trichomonas vaginalis set domain proteins, putative 0.0253 1 1
Leishmania major trypanothione reductase 0.004 0.0533 0.0141
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0142 0.5057 0.6815
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0041 0.057 0.0491
Trypanosoma brucei unspecified product 0.0041 0.057 0.3199
Schistosoma mansoni DNA polymerase eta 0.0068 0.1781 0.2262
Trypanosoma brucei trypanothione reductase 0.004 0.0533 0.2993
Echinococcus granulosus dna polymerase kappa 0.0041 0.057 0.0646
Loa Loa (eye worm) hypothetical protein 0.0036 0.0355 0.0237
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0533 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.057 0.043
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.1105 0.1122
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.057 0.3199
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0533 0.0447
Echinococcus granulosus histone lysine methyltransferase setb 0.0032 0.0154 0.0072
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0102 0.3296 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.057 0.043
Trypanosoma cruzi DNA polymerase eta, putative 0.0068 0.1781 1
Echinococcus multilocularis tar DNA binding protein 0.0193 0.7349 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.1105 0.1122
Loa Loa (eye worm) TAR-binding protein 0.0193 0.7349 0.8486
Plasmodium vivax glutathione reductase, putative 0.004 0.0533 1
Mycobacterium tuberculosis Probable reductase 0.0092 0.2838 0.8342
Schistosoma mansoni tar DNA-binding protein 0.0193 0.7349 1
Brugia malayi glutathione reductase 0.004 0.0533 0.0447
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0092 0.2838 0.8342
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0557 0.0629
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.057 0.043
Leishmania major DNA polymerase kappa, putative 0.0041 0.057 0.043
Giardia lamblia DINP protein human, muc B family 0.0041 0.057 0.5

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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