Detailed information for compound 1505630

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 400.427 | Formula: C24H20N2O4
  • H donors: 0 H acceptors: 3 LogP: 4.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C(=O)Cn1c(nc2c1cccc2)C(=O)c1ccc(cc1)OC
  • InChi: 1S/C24H20N2O4/c1-29-18-11-7-16(8-12-18)22(27)15-26-21-6-4-3-5-20(21)25-24(26)23(28)17-9-13-19(30-2)14-10-17/h3-14H,15H2,1-2H3
  • InChiKey: UTNYBTYLRXMDCJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0103 0.3871
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0002 0.0173
Schistosoma mansoni terminal deoxycytidyl transferase 0.0057 0.0022 0.174
Loa Loa (eye worm) hypothetical protein 0.0057 0.0022 0.117
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0042 0.0008 0.0117
Mycobacterium tuberculosis Conserved hypothetical protein 0.0158 0.0119 0.0175
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0301 0.0253 1
Brugia malayi hypothetical protein 0.0036 0.0002 0.0116
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0103 0.3504
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0015 0.0766
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0057 0.0022 0.117
Trypanosoma cruzi DNA polymerase kappa, putative 0.0057 0.0022 0.0565
Mycobacterium ulcerans penicillin-binding lipoprotein 0.1387 0.1282 0.1263
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.1387 0.1282 0.2294
Trypanosoma cruzi DNA polymerase kappa, putative 0.0057 0.0022 0.0565
Trypanosoma cruzi DNA polymerase eta, putative 0.0057 0.0022 0.0565
Trypanosoma brucei DNA polymerase eta, putative 0.0057 0.0022 0.0675
Brugia malayi ImpB/MucB/SamB family protein 0.0057 0.0022 0.117
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0804 0.073 1
Echinococcus granulosus dna polymerase eta 0.0057 0.0022 0.1595
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0017 0.0358
Echinococcus granulosus geminin 0.0169 0.0128 1
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.1387 0.1282 0.2294
Trypanosoma brucei DNA polymerase IV, putative 0.0057 0.0022 0.0675
Loa Loa (eye worm) MH2 domain-containing protein 0.0235 0.0191 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0057 0.0022 0.0276
Echinococcus granulosus dna polymerase kappa 0.0057 0.0022 0.1595
Giardia lamblia DINP protein human, muc B family 0.0057 0.0022 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0057 0.0022 0.1595
Trypanosoma brucei unspecified product 0.0057 0.0022 0.0675
Schistosoma mansoni hypothetical protein 0.0169 0.0128 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.0022 0.0675
Brugia malayi hypothetical protein 0.0147 0.0108 0.5656
Schistosoma mansoni hypothetical protein 0.0169 0.0128 1
Schistosoma mansoni DNA polymerase eta 0.0057 0.0022 0.174
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.0022 0.0675
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.5857 0.5517 0.4857
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.0022 0.0675
Brugia malayi MH2 domain containing protein 0.0235 0.0191 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0015 0.0766
Trypanosoma brucei DNA polymerase IV, putative 0.0057 0.0022 0.0675
Loa Loa (eye worm) transcription factor SMAD2 0.0235 0.0191 1
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.1387 0.1282 0.1263
Onchocerca volvulus 0.0147 0.0108 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.0022 0.0675
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.0022 0.0675
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.0253 1
Chlamydia trachomatis transglycolase/transpeptidase 0.1387 0.1282 0.5
Mycobacterium ulcerans hypothetical protein 0.0158 0.0119 0.0096
Trypanosoma brucei DNA polymerase IV, putative 0.0057 0.0022 0.0675
Entamoeba histolytica deoxycytidyl transferase, putative 0.0057 0.0022 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0015 0.0766
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.0022 0.0675
Loa Loa (eye worm) hypothetical protein 0.0049 0.0015 0.0766
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.5857 0.5517 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0057 0.0022 0.0565
Chlamydia trachomatis transglycolase/transpeptidase 0.1387 0.1282 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0057 0.0022 0.0565
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.4733 0.4452 0.8062
Leishmania major mitochondrial DNA polymerase beta 0.0301 0.0253 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.0108 0.5656
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.1387 0.1282 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0301 0.0253 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.0022 0.0675
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.0022 0.0675
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0057 0.0022 0.174
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.0022 0.0675
Mycobacterium ulcerans penicillin-binding protein PbpA 0.1387 0.1282 0.1263
Echinococcus multilocularis dna polymerase kappa 0.0057 0.0022 0.0276
Trypanosoma brucei DNA polymerase kappa, putative 0.0057 0.0022 0.0675
Echinococcus multilocularis geminin 0.0169 0.0128 0.1731
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.5857 0.5517 0.5507
Schistosoma mansoni hypothetical protein 0.0036 0.0002 0.0173
Echinococcus multilocularis dna polymerase eta 0.0057 0.0022 0.0276
Brugia malayi ImpB/MucB/SamB family protein 0.0057 0.0022 0.117
Toxoplasma gondii hypothetical protein 0.0049 0.0014 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.0103 0.3942

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 38.33 % Cytotoxicity against human NSCLC cells assessed as cell growth at 100 uM after 48 hrs by SRB assay ChEMBL. 21122952
GI50 (functional) = 4.82 Cytotoxicity against human NSCLC cells assessed as cell growth after 48 hrs by SRB assay ChEMBL. 21122952

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.