Detailed information for compound 822510

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 477.506 | Formula: C26H25F2N5O2
  • H donors: 1 H acceptors: 3 LogP: 3.1 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(c(c1)C(=O)NC(c1nnc2n1CCN(CC2)Cc1ccccc1c1ccco1)C)F
  • InChi: 1S/C26H25F2N5O2/c1-17(29-26(34)21-15-19(27)8-9-22(21)28)25-31-30-24-10-11-32(12-13-33(24)25)16-18-5-2-3-6-20(18)23-7-4-14-35-23/h2-9,14-15,17H,10-13,16H2,1H3,(H,29,34)
  • InChiKey: JHTCXBAPOVYPCE-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
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.1055 0.5855 1
Trichomonas vaginalis set domain proteins, putative 0.0501 0.271 0.5785
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0122 0.0561 0.8431
Echinococcus multilocularis transcription factor Dp 1 0.0081 0.033 0.2826
Plasmodium vivax SET domain protein, putative 0.0063 0.0226 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0173 0.0848 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.0063 0.0942
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0122 0.0561 0.0512
Brugia malayi glutaminase DH11.1 0.0301 0.1579 0.6586
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1698 0.3519
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1698 0.3519
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.014 0.0665 1
Onchocerca volvulus 0.0173 0.0848 0.2504
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0125 0.1881
Schistosoma mansoni glutaminase 0.0301 0.1579 1
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0573 0.3121 0.5212
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0226 0.1398
Brugia malayi Pre-SET motif family protein 0.044 0.2365 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1698 0.3519
Schistosoma mansoni lipoxygenase 0.0091 0.0384 0.1167
Trypanosoma brucei hypothetical protein, conserved 0.0049 0.0144 0.2161
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0173 0.0848 0.3412
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0125 0.1881
Trichomonas vaginalis glutaminase, putative 0.0301 0.1579 0.3254
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0226 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0322 0.1698 1
Echinococcus granulosus transcription factor Dp 1 0.0081 0.033 0.2826
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.013 0.0606 0.6654
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.014 0.0665 1
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.014 0.0665 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.014 0.0665 0.2617
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0573 0.3121 0.3522
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0122 0.0561 0.6025
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0125 0.1881
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0573 0.3121 0.533
Loa Loa (eye worm) glutaminase 2 0.0301 0.1579 0.6586
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0157 0.0762 0.1082
Schistosoma mansoni lipoxygenase 0.013 0.0606 0.2809
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.014 0.0665 0.3356
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0049 0.0144 0.0246
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0122 0.0561 0.0958
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0125 0.1881
Treponema pallidum penicillin-binding protein (pbp-3) 0.1543 0.8629 0.8609
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.026 0.1341 0.2291
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0125 0.1881
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0122 0.0561 0.2163
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.1055 0.5855 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0157 0.0762 0.1301
Treponema pallidum fructose-bisphosphate aldolase 0.0322 0.1698 0.1576
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0125 0.1881
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.044 0.2365 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0213 0.1216
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0226 0.1398
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0328 0.1729 0.2953
Mycobacterium ulcerans penicillin-binding protein PbpA 0.1055 0.5855 0.6738
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1698 0.3519
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.014 0.0665 1
Leishmania major phosphopantetheinyl transferase-like protein 0.0049 0.0144 0.2161
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.1785 1 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.014 0.0665 0.2617
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0125 0.1881
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0114 0.0514 0.1961
Trypanosoma brucei unspecified product 0.0038 0.0084 0.1261
Loa Loa (eye worm) glutaminase 0.0301 0.1579 0.6586
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0125 0.1881
Echinococcus granulosus L aminoadipate semialdehyde 0.0173 0.0848 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.0063 0.0942
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0485 0.2623 0.448
Treponema pallidum penicillin-binding protein (pbp-2) 0.0833 0.4594 0.4515
Trichomonas vaginalis conserved hypothetical protein 0.0833 0.4594 1
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0049 0.0144 0.0022
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.1543 0.8629 1
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0084 0.1261
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0122 0.0561 0.2473
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0157 0.0762 0.0749
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0049 0.0144 0.5
Giardia lamblia Fructose-bisphosphate aldolase 0.0322 0.1698 1
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0173 0.0848 0.4598
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.014 0.0665 0.7468
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1698 0.3519
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0485 0.2623 0.4341
Brugia malayi Pre-SET motif family protein 0.0063 0.0226 0.0711
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0122 0.0561 0.6025
Echinococcus granulosus arachidonate 5 lipoxygenase 0.013 0.0606 0.6654
Loa Loa (eye worm) hypothetical protein 0.0063 0.0226 0.0711
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0049 0.0144 0.0022
Onchocerca volvulus 0.0501 0.271 1
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0328 0.1729 0.1886
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1698 0.3519
Mycobacterium ulcerans glutaminase 0.0301 0.1579 0.171
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0125 0.1881
Chlamydia trachomatis transglycolase/transpeptidase 0.0813 0.4484 0.4404
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0125 0.1881
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0833 0.4594 0.5255
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0328 0.1729 0.2776
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.014 0.0665 0.7468
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1698 0.3519
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0125 0.1881
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0322 0.1698 0.3519
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0833 0.4594 0.7792
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0226 0.1398
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0122 0.0561 0.0512
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.014 0.0665 0.3244
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0322 0.1698 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.0848 0.3412
Treponema pallidum penicillin-binding protein (pbp-1) 0.1785 1 1

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.

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