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
Plasmodium falciparum basic transcription factor 3b, putative 0.0024 0.0126 0.0185
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0129 0.0129
Echinococcus granulosus cyclins 0.0021 0.0072 0.0072
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.1086 0.1086
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0657 0.8585
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0151 0.2974 0.438
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0129 0.0129
Plasmodium vivax methionine--tRNA ligase, putative 0.0037 0.0428 0.1059
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0597 0.0792
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0151 0.2974 0.2974
Loa Loa (eye worm) hypothetical protein 0.0025 0.0146 0.0188
Brugia malayi latrophilin 2 splice variant baaae 0.0025 0.0146 0.0095
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0657 0.2013
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.0037 0.0428 0.0536
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0151 0.2974 1
Echinococcus granulosus cyclins 0.0021 0.0072 0.0072
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.2959 0.4356
Echinococcus multilocularis cyclin b3 0.0021 0.0072 0.0072
Echinococcus granulosus geminin 0.0179 0.3582 0.3582
Leishmania major aspartyl aminopeptidase, putative,metallo-peptidase, Clan MH, Family M20 0.0151 0.2974 0.438
Echinococcus granulosus survival motor neuron protein 1 0.0168 0.3349 0.3349
Schistosoma mansoni bromodomain containing protein 0.007 0.117 0.117
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0071 0.1181 0.382
Echinococcus multilocularis survival motor neuron protein 1 0.0168 0.3349 0.3349
Mycobacterium ulcerans hypothetical protein 0.0168 0.3338 1
Trypanosoma cruzi metallo-peptidase, Clan MH, Family M20 0.0151 0.2974 0.438
Schistosoma mansoni hypothetical protein 0.0022 0.0084 0.0084
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0151 0.2974 1
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.1181 0.382
Echinococcus granulosus cyclins 0.0021 0.0072 0.0072
Echinococcus multilocularis microtubule associated protein 2 0.0467 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0081 0.1399 0.1809
Onchocerca volvulus 0.0023 0.0112 0.1339
Echinococcus granulosus cyclin B3 1 0.0021 0.0072 0.0072
Brugia malayi Muscleblind-like protein 0.0365 0.773 1
Echinococcus granulosus transcription factor btf3 0.0024 0.0126 0.0126
Entamoeba histolytica transcription factor BTF3, putative 0.0024 0.0126 0.0185
Loa Loa (eye worm) transcription factor SMAD2 0.0081 0.1399 0.1809
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.1181 0.382
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0071 0.1181 0.382
Trichomonas vaginalis hypothetical protein 0.0071 0.1181 0.382
Schistosoma mansoni zinc finger protein 0.0024 0.0143 0.0143
Echinococcus multilocularis methionine tRNA synthetase 0.0037 0.0428 0.0428
Brugia malayi hypothetical protein 0.0168 0.3349 0.4279
Plasmodium falciparum M18 aspartyl aminopeptidase 0.0151 0.2974 1
Schistosoma mansoni cyclins 0.0021 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0094
Brugia malayi beta-NAC-like protein 0.0024 0.0126 0.007
Loa Loa (eye worm) ICD-1 protein 0.0024 0.0126 0.0163
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0657 0.1863
Echinococcus granulosus aspartyl aminopeptidase 0.0151 0.2974 0.2974
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0129 0.0129
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.0444 0.0444
Echinococcus granulosus cyclins 0.0021 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0168 0.3349 0.4332
Schistosoma mansoni hypothetical protein 0.0179 0.3582 0.3582
Loa Loa (eye worm) hypothetical protein 0.0021 0.0072 0.0094
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0155 0.3061 0.3061
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0319 0.6698 1
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0126 0.0185
Leishmania major methionyl-tRNA synthetase, putative 0.0037 0.0428 0.0536
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.1181 0.382
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0518 0.1534
Schistosoma mansoni aspartyl aminopeptidase (M18 family) 0.0151 0.2974 0.2974
Echinococcus granulosus muscleblind protein 0.0365 0.773 0.773
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0151 0.2959 0.4356
Entamoeba histolytica aspartyl aminopeptidase, putative 0.0151 0.2974 1
Loa Loa (eye worm) hypothetical protein 0.0365 0.773 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0501 0.0648
Mycobacterium tuberculosis Conserved hypothetical protein 0.0168 0.3338 1
Loa Loa (eye worm) aspartyl aminopeptidase 0.0151 0.2974 0.3847
Loa Loa (eye worm) hypothetical protein 0.0151 0.2974 0.3847
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0518 0.1534
Echinococcus granulosus cyclin b3 0.0021 0.0072 0.0072
Brugia malayi MH2 domain containing protein 0.0081 0.1399 0.1732
Schistosoma mansoni hypothetical protein 0.0025 0.0146 0.0146
Echinococcus granulosus cyclin B 0.0021 0.0072 0.0072
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0071 0.1181 0.382
Echinococcus multilocularis muscleblind protein 0.0365 0.773 0.773
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0365 0.773 1
Schistosoma mansoni microtubule-associated protein tau 0.0467 1 1
Schistosoma mansoni hypothetical protein 0.0179 0.3582 0.3582
Echinococcus granulosus cyclins 0.0021 0.0072 0.0072
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0319 0.6698 1
Plasmodium falciparum methionine--tRNA ligase 0.0037 0.0428 0.1225
Echinococcus granulosus zinc finger protein 0.0024 0.0143 0.0143
Trypanosoma cruzi transcription factor btf3, putative 0.0024 0.0126 0.0081
Trypanosoma cruzi transcription factor btf3, putative 0.0024 0.0126 0.0081
Brugia malayi methionyl-tRNA synthetase 0.0037 0.0428 0.0464
Echinococcus granulosus methionine tRNA synthetase 0.0037 0.0428 0.0428
Echinococcus multilocularis cyclin dependent kinase 6 0.0201 0.4074 0.4074
Loa Loa (eye worm) acetyltransferase 0.0155 0.3061 0.396
Onchocerca volvulus 0.0034 0.0364 1
Mycobacterium leprae PROBABLE AMINOPEPTIDASE PEPC 0.0151 0.2974 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1261 0.1632
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0518 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0319 0.6698 1
Giardia lamblia Methionyl-tRNA synthetase 0.0037 0.0428 0.7985
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0597 0.0792
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0034 0.0364 0.0381
Echinococcus multilocularis cyclin B3 1 0.0021 0.0072 0.0072
Brugia malayi Bromodomain containing protein 0.0083 0.1445 0.1793
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0657 0.2013
Schistosoma mansoni transcription factor btf3 0.0024 0.0126 0.0126
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0021 0.0072 0.0072
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0126 0.0185
Leishmania major mitochondrial DNA polymerase beta 0.0319 0.6698 1
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.0037 0.0428 0.5
Brugia malayi PHD-finger family protein 0.003 0.0268 0.0255
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0155 0.3061 0.3061
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0657 0.0657
Schistosoma mansoni cyclin B 0.0021 0.0072 0.0072
Echinococcus multilocularis cyclin B 0.0021 0.0072 0.0072
Brugia malayi Bromodomain containing protein 0.0044 0.0583 0.0666
Echinococcus multilocularis aspartyl aminopeptidase 0.0151 0.2974 0.2974
Echinococcus multilocularis transcription factor btf3 0.0024 0.0126 0.0126
Loa Loa (eye worm) hypothetical protein 0.0151 0.2974 0.3847
Loa Loa (eye worm) bromodomain containing protein 0.0022 0.0098 0.0127
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0036 0.0399 0.0515
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0021 0.0072 0.0072
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0597 0.0792
Schistosoma mansoni survival motor neuron protein 0.0034 0.0364 0.0364
Loa Loa (eye worm) methionyl-tRNA synthetase 0.0037 0.0428 0.0553
Trypanosoma brucei aspartyl aminopeptidase, putative 0.0151 0.2974 0.438
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Entamoeba histolytica hypothetical protein 0.0024 0.0126 0.0185
Echinococcus granulosus cyclin dependent kinase 6 0.0201 0.4074 0.4074
Brugia malayi Aspartyl aminopeptidase 0.0151 0.2974 0.3789
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Schistosoma mansoni methionine-tRNA synthetase 0.0037 0.0428 0.0428
Echinococcus multilocularis muscleblind protein 1 0.0365 0.773 0.773
Echinococcus multilocularis geminin 0.0179 0.3582 0.3582
Toxoplasma gondii methionyl-tRNA synthetase 0.0037 0.0428 0.4883
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0816 0.1122
Trichomonas vaginalis Clan MH, family M18, aspartyl aminopeptidase-like metallopeptidase 0.0151 0.2974 1
Mycobacterium tuberculosis Probable aminopeptidase PepC 0.0151 0.2974 0.8749
Echinococcus multilocularis zinc finger protein 0.0024 0.0143 0.0143
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0036 0.0399 0.0426
Entamoeba histolytica aminopeptidase, putative 0.0151 0.2974 1
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0597 0.0792
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0084 0.0109
Trypanosoma cruzi aspartyl aminopeptidase, putative 0.0151 0.2974 0.438
Loa Loa (eye worm) hypothetical protein 0.0049 0.0685 0.0886
Loa Loa (eye worm) cyclin domain-containing protein 0.0021 0.0072 0.0094
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.0037 0.0428 0.1225
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.0037 0.0428 0.0536
Loa Loa (eye worm) hypothetical protein 0.0047 0.064 0.0828
Plasmodium vivax M18 aspartyl aminopeptidase, putative 0.0151 0.2974 1
Schistosoma mansoni cyclin B3 0.0021 0.0072 0.0072
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.0444 0.0444
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0657 0.8585
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0023 0.0112 0.0144
Brugia malayi Calcitonin receptor-like protein seb-1 0.0036 0.0399 0.0426
Leishmania major basic transcription factor 3a, putative 0.0024 0.0126 0.0081
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0126 0.0185
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.1086 0.1086
Toxoplasma gondii hypothetical protein 0.0051 0.0744 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0149 0.291 0.291
Echinococcus multilocularis cyclins 0.0021 0.0072 0.0072
Brugia malayi acetyltransferase, GNAT family protein 0.0155 0.3061 0.3903
Loa Loa (eye worm) hypothetical protein 0.0036 0.0399 0.0515
Schistosoma mansoni hypothetical protein 0.0034 0.0364 0.0364
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.2959 0.4356
Trypanosoma brucei transcription factor BTF3, putative 0.0024 0.0126 0.0081
Schistosoma mansoni serine/threonine protein kinase 0.0201 0.4074 0.4074

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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