Detailed information for compound 932122

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 576.999 | Formula: C30H24ClF3N6O
  • H donors: 0 H acceptors: 4 LogP: 6.68 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1ccc(cc1)c1cc(nn1c1ccc2c(n1)cccc2)C(=O)N1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
  • InChi: 1S/C30H24ClF3N6O/c1-19-6-8-21(9-7-19)26-17-25(37-40(26)27-11-10-20-4-2-3-5-24(20)36-27)29(41)39-14-12-38(13-15-39)28-23(31)16-22(18-35-28)30(32,33)34/h2-11,16-18H,12-15H2,1H3
  • InChiKey: QCMAVSXAYQPOLS-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
Schistosoma mansoni serine/threonine protein kinase 0.0201 0.4074 0.4074
Echinococcus multilocularis zinc finger protein 0.0024 0.0143 0.0143
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.2959 0.4356
Plasmodium falciparum methionine--tRNA ligase 0.0037 0.0428 0.1225
Loa Loa (eye worm) hypothetical protein 0.0025 0.0146 0.0188
Echinococcus granulosus cyclins 0.0021 0.0072 0.0072
Schistosoma mansoni hypothetical protein 0.0179 0.3582 0.3582
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0036 0.0399 0.0515
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0151 0.2974 1
Loa Loa (eye worm) transcription factor SMAD2 0.0081 0.1399 0.1809
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0597 0.0792
Schistosoma mansoni cyclin B 0.0021 0.0072 0.0072
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.1181 0.382
Schistosoma mansoni cyclins 0.0021 0.0072 0.0072
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0037 0.0428 0.5
Echinococcus granulosus zinc finger protein 0.0024 0.0143 0.0143
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0129 0.0129
Brugia malayi PHD-finger family protein 0.003 0.0268 0.0255
Plasmodium vivax methionine--tRNA ligase, putative 0.0037 0.0428 0.1059
Entamoeba histolytica hypothetical protein 0.0024 0.0126 0.0185
Leishmania major methionyl-tRNA synthetase, putative 0.0037 0.0428 0.0536
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0657 0.2013
Loa Loa (eye worm) hypothetical protein 0.0049 0.0685 0.0886
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0151 0.2974 1
Schistosoma mansoni hypothetical protein 0.0025 0.0146 0.0146
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.2959 0.4356
Echinococcus granulosus survival motor neuron protein 1 0.0168 0.3349 0.3349
Entamoeba histolytica transcription factor BTF3, putative 0.0024 0.0126 0.0185
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0597 0.0792
Schistosoma mansoni microtubule-associated protein tau 0.0467 1 1
Echinococcus multilocularis transcription factor btf3 0.0024 0.0126 0.0126
Echinococcus multilocularis aspartyl aminopeptidase 0.0151 0.2974 0.2974
Loa Loa (eye worm) aspartyl aminopeptidase 0.0151 0.2974 0.3847
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0319 0.6698 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0657 0.8585
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.1086 0.1086
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0657 0.2013
Trypanosoma cruzi transcription factor btf3, putative 0.0024 0.0126 0.0081
Brugia malayi Aspartyl aminopeptidase 0.0151 0.2974 0.3789
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Brugia malayi Bromodomain containing protein 0.0044 0.0583 0.0666
Echinococcus multilocularis cyclin dependent kinase 6 0.0201 0.4074 0.4074
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0597 0.0792
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0151 0.2974 1
Echinococcus multilocularis muscleblind protein 1 0.0365 0.773 0.773
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0597 0.0792
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0037 0.0428 0.1225
Schistosoma mansoni transcription factor btf3 0.0024 0.0126 0.0126
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0071 0.1181 0.382
Toxoplasma gondii methionyl-tRNA synthetase 0.0037 0.0428 0.4883
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0071 0.1181 0.382
Leishmania major mitochondrial DNA polymerase beta 0.0319 0.6698 1
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0151 0.2974 1
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0151 0.2974 1
Brugia malayi Bromodomain containing protein 0.0083 0.1445 0.1793
Echinococcus multilocularis cyclin B3 1 0.0021 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.004 0.0501 0.0648
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Onchocerca volvulus 0.0034 0.0364 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0444 0.0444
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0094
Loa Loa (eye worm) ICD-1 protein 0.0024 0.0126 0.0163
Brugia malayi acetyltransferase, GNAT family protein 0.0155 0.3061 0.3903
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0071 0.1181 0.382
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0021 0.0072 0.0072
Trypanosoma cruzi transcription factor btf3, putative 0.0024 0.0126 0.0081
Echinococcus granulosus cyclins 0.0021 0.0072 0.0072
Echinococcus granulosus methionine tRNA synthetase 0.0037 0.0428 0.0428
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0037 0.0428 0.0536
Echinococcus granulosus muscleblind protein 0.0365 0.773 0.773
Loa Loa (eye worm) hypothetical protein 0.0047 0.064 0.0828
Brugia malayi beta-NAC-like protein 0.0024 0.0126 0.007
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0444 0.0444
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0037 0.0428 0.0553
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0094
Loa Loa (eye worm) cyclin domain-containing protein 0.0021 0.0072 0.0094
Loa Loa (eye worm) hypothetical protein 0.0151 0.2974 0.3847
Loa Loa (eye worm) hypothetical protein 0.0365 0.773 1
Entamoeba histolytica aminopeptidase, putative 0.0151 0.2974 1
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0084 0.0109
Loa Loa (eye worm) hypothetical protein 0.0075 0.1261 0.1632
Echinococcus granulosus cyclin dependent kinase 6 0.0201 0.4074 0.4074
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0151 0.2974 0.2974
Echinococcus granulosus aspartyl aminopeptidase 0.0151 0.2974 0.2974
Brugia malayi hypothetical protein 0.0168 0.3349 0.4279
Brugia malayi Calcitonin receptor-like protein seb-1 0.0036 0.0399 0.0426
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0023 0.0112 0.0144
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.1181 0.382
Loa Loa (eye worm) hypothetical protein 0.0036 0.0399 0.0515
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0034 0.0364 0.0381
Mycobacterium ulcerans hypothetical protein 0.0168 0.3338 1
Echinococcus granulosus geminin 0.0179 0.3582 0.3582
Schistosoma mansoni methionine-tRNA synthetase 0.0037 0.0428 0.0428
Plasmodium falciparum basic transcription factor 3b, putative 0.0024 0.0126 0.0185
Brugia malayi MH2 domain containing protein 0.0081 0.1399 0.1732
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0155 0.3061 0.3061
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0151 0.2974 1
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0126 0.0185
Echinococcus granulosus cyclin B3 1 0.0021 0.0072 0.0072
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0151 0.2974 0.438
Loa Loa (eye worm) hypothetical protein 0.0365 0.773 1
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0518 0.1534
Echinococcus multilocularis muscleblind protein 0.0365 0.773 0.773
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0151 0.2974 0.438
Brugia malayi Muscleblind-like protein 0.0365 0.773 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0657 0.8585
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0126 0.0185
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0126 0.0185
Echinococcus granulosus transcription factor btf3 0.0024 0.0126 0.0126
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0319 0.6698 1
Schistosoma mansoni zinc finger protein 0.0024 0.0143 0.0143
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0151 0.2974 0.8749
Echinococcus multilocularis microtubule associated protein 2 0.0467 1 1
Echinococcus granulosus cyclin b3 0.0021 0.0072 0.0072
Echinococcus granulosus cyclin B 0.0021 0.0072 0.0072
Loa Loa (eye worm) MH2 domain-containing protein 0.0081 0.1399 0.1809
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Brugia malayi latrophilin 2 splice variant baaae 0.0025 0.0146 0.0095
Leishmania major basic transcription factor 3a, putative 0.0024 0.0126 0.0081
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0037 0.0428 0.0536
Mycobacterium tuberculosis Conserved hypothetical protein 0.0168 0.3338 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0129 0.0129
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0151 0.2974 0.438
Schistosoma mansoni survival motor neuron protein 0.0034 0.0364 0.0364
Echinococcus granulosus cyclins 0.0021 0.0072 0.0072
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0657 0.0657
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0151 0.2974 1
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0021 0.0072 0.0072
Giardia lamblia Methionyl-tRNA synthetase 0.0037 0.0428 0.7985
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0518 0.1534
Echinococcus granulosus histone acetyltransferase KAT2B 0.0149 0.291 0.291
Echinococcus multilocularis geminin 0.0179 0.3582 0.3582
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0319 0.6698 1
Brugia malayi methionyl-tRNA synthetase 0.0037 0.0428 0.0464
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0151 0.2959 0.4356
Loa Loa (eye worm) bromodomain containing protein 0.0022 0.0098 0.0127
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0151 0.2974 0.2974
Schistosoma mansoni cyclin B3 0.0021 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0151 0.2974 0.3847
Loa Loa (eye worm) hypothetical protein 0.0168 0.3349 0.4332
Echinococcus multilocularis cyclin B 0.0021 0.0072 0.0072
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0036 0.0399 0.0426
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0518 1
Trypanosoma brucei transcription factor BTF3, putative 0.0024 0.0126 0.0081
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0151 0.2974 0.438
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0129 0.0129
Schistosoma mansoni bromodomain containing protein 0.007 0.117 0.117
Schistosoma mansoni hypothetical protein 0.0179 0.3582 0.3582
Echinococcus granulosus cyclins 0.0021 0.0072 0.0072
Schistosoma mansoni hypothetical protein 0.0034 0.0364 0.0364
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0657 0.1863
Echinococcus granulosus cyclins 0.0021 0.0072 0.0072
Onchocerca volvulus 0.0023 0.0112 0.1339
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Echinococcus multilocularis survival motor neuron protein 1 0.0168 0.3349 0.3349
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.1181 0.382
Trichomonas vaginalis hypothetical protein 0.0071 0.1181 0.382
Echinococcus multilocularis cyclin b3 0.0021 0.0072 0.0072
Echinococcus multilocularis methionine tRNA synthetase 0.0037 0.0428 0.0428
Loa Loa (eye worm) acetyltransferase 0.0155 0.3061 0.396
Toxoplasma gondii hypothetical protein 0.0051 0.0744 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0816 0.1122
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0155 0.3061 0.3061
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.1086 0.1086
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0151 0.2974 0.438
Schistosoma mansoni hypothetical protein 0.0022 0.0084 0.0084

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 48 uM Cytotoxicity against human MCF7 cells after 72 hrs by SRB assay ChEMBL. 25247770

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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