Detailed information for compound 682180

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 455.952 | Formula: C25H27ClFN3O2
  • H donors: 1 H acceptors: 2 LogP: 4.35 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCn1c(C)cc(c(c1=O)C(c1ccccc1Cl)N1CCN(CC1)c1ccccc1F)O
  • InChi: 1S/C25H27ClFN3O2/c1-3-30-17(2)16-22(31)23(25(30)32)24(18-8-4-5-9-19(18)26)29-14-12-28(13-15-29)21-11-7-6-10-20(21)27/h4-11,16,24,31H,3,12-15H2,1-2H3
  • InChiKey: MXRLNSQOKBQYIG-UHFFFAOYSA-N  

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 6-phosphofructokinase 0.0124 0.1974 0.2675
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0075 0.0949 0.1099
Schistosoma mansoni lipoxygenase 0.0128 0.206 0.2791
Loa Loa (eye worm) phosphofructokinase 0.0124 0.1974 0.1974
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0124 0.1974 0.2878
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0034 0.0069 0.5
Schistosoma mansoni hypothetical protein 0.038 0.7349 1
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0847 0.1138
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0075 0.0949 0.1306
Schistosoma mansoni aldehyde dehydrogenase 0.007 0.0847 0.1138
Echinococcus granulosus lysine specific demethylase 5A 0.0042 0.0239 0.0266
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.0523 0.0873
Trichomonas vaginalis CAMK family protein kinase 0.0055 0.0523 0.0873
Loa Loa (eye worm) hypothetical protein 0.0506 1 1
Leishmania major ATP-dependent phosphofructokinase 0.0124 0.1974 0.2878
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3237 0.6095
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3237 0.6095
Loa Loa (eye worm) hypothetical protein 0.0171 0.2951 0.2951
Echinococcus granulosus PHD finger protein rhinoceros 0.0034 0.0087 0.0088
Echinococcus multilocularis Protein lozenge 0.0063 0.0698 0.0805
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0087 0.0225
Echinococcus granulosus muscleblind protein 0.0171 0.2951 0.3446
Loa Loa (eye worm) 6-phosphofructokinase 0.0124 0.1974 0.1974
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0124 0.1974 0.608
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0168 0.2903 0.3941
Giardia lamblia Histone acetyltransferase GCN5 0.0045 0.0318 0.1521
Schistosoma mansoni hypothetical protein 0.0034 0.0087 0.0102
Schistosoma mansoni kinesin eg-5 0.0057 0.0557 0.0742
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.3446 0.6496
Entamoeba histolytica phosphofructokinase, putative 0.0124 0.1974 1
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3237 0.6095
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0168 0.2903 0.339
Loa Loa (eye worm) hypothetical protein 0.0171 0.2951 0.2951
Brugia malayi 6-phosphofructokinase 0.0124 0.1974 0.1965
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0098 0.0101
Echinococcus multilocularis GPCR, family 2 0.0035 0.0097 0.01
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0111 0.1706 0.2466
Loa Loa (eye worm) hypothetical protein 0.0031 0.0012 0.0012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.1521 0.177
Onchocerca volvulus Alhambra homolog 0.0034 0.0087 0.0075
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0113 0.1731 0.2016
Brugia malayi jmjC domain containing protein 0.0042 0.0239 0.0227
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.1521 0.2057
Mycobacterium tuberculosis Conserved hypothetical protein 0.0182 0.3184 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0075 0.0949 0.0949
Schistosoma mansoni serine/threonine protein kinase 0.0111 0.1706 0.2308
Echinococcus granulosus geminin 0.0181 0.3166 0.3698
Schistosoma mansoni hypothetical protein 0.0075 0.0947 0.1275
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.0405 0.0461
Plasmodium vivax hypothetical protein, conserved 0.0034 0.0087 0.0359
Echinococcus granulosus 6 phosphofructokinase 0.0124 0.1974 0.2301
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0124 0.1974 1
Echinococcus granulosus GPCR family 2 0.0035 0.0097 0.01
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0012 0.0012
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0075 0.0949 0.1278
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0345 0.6616 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0111 0.1706 0.1696
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.007 0.0847 0.2426
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0075 0.0949 0.1306
Echinococcus multilocularis PHD finger protein rhinoceros 0.0034 0.0087 0.0088
Trichomonas vaginalis glucosylceramidase, putative 0.0281 0.5267 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0384 0.0439
Loa Loa (eye worm) 6-phosphofructokinase 0.0124 0.1974 0.1974
Echinococcus multilocularis kinesin family 1 0.0436 0.8542 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0035 0.0098 0.0101
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0048 0.0384 0.0439
Leishmania major mitochondrial DNA polymerase beta 0.0345 0.6616 1
Onchocerca volvulus 0.0506 1 1
Schistosoma mansoni lipoxygenase 0.009 0.1249 0.1686
Brugia malayi Kinesin motor domain containing protein 0.0057 0.0557 0.0545
Schistosoma mansoni hypothetical protein 0.0035 0.0097 0.0116
Entamoeba histolytica acetyltransferase, GNAT family 0.0045 0.0318 0.1307
Schistosoma mansoni hypothetical protein 0.0181 0.3166 0.4298
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1706 0.3148
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.0405 0.4316
Trichomonas vaginalis phosphofructokinase, putative 0.0124 0.1974 0.3665
Brugia malayi acetyltransferase, GNAT family protein 0.0168 0.2903 0.2895
Loa Loa (eye worm) hypothetical protein 0.0506 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1706 0.3148
Onchocerca volvulus 0.0172 0.2993 0.2984
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3237 0.6095
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1706 0.3148
Loa Loa (eye worm) hypothetical protein 0.0172 0.2993 0.2993
Echinococcus granulosus kinesin family 1 0.0436 0.8542 1
Loa Loa (eye worm) acetyltransferase 0.0168 0.2903 0.2903
Trypanosoma brucei polo-like protein kinase 0.0111 0.1706 0.2466
Schistosoma mansoni 6-phosphofructokinase 0.0124 0.1974 0.2675
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0035 0.0098 0.0589
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3237 0.6095
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0345 0.6616 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.007 0.0847 0.0979
Loa Loa (eye worm) isocitrate dehydrogenase 0.0035 0.0098 0.0098
Trichomonas vaginalis glucosylceramidase, putative 0.0281 0.5267 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0048 0.0384 0.0439
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1706 0.3148
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.0405 0.0646
Trichomonas vaginalis glucosylceramidase, putative 0.0194 0.3446 0.6496
Echinococcus multilocularis 6 phosphofructokinase 0.0124 0.1974 0.2301
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.2796 0.414
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0856 0.0856
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0097 0.01
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0034 0.0087 0.0102
Loa Loa (eye worm) hypothetical protein 0.0034 0.0087 0.0087
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0097 0.0085
Schistosoma mansoni jumonji domain containing protein 0.0089 0.1245 0.168
Echinococcus multilocularis transcription factor Dp 1 0.0044 0.0282 0.0316
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0075 0.0949 0.1306
Echinococcus multilocularis isocitrate dehydrogenase 0.0035 0.0098 0.0101
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3237 0.6095
Giardia lamblia PHD finger protein 15 0.0034 0.0087 0.0107
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0163 0.2796 0.414
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.0405 0.0646
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.0405 0.689
Brugia malayi Isocitrate dehydrogenase 0.0035 0.0098 0.0086
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0097 0.01
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1706 0.3148
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0281 0.5267 0.5267
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0075 0.0949 0.1306
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0239 0.031
Toxoplasma gondii isocitrate dehydrogenase 0.0035 0.0098 0.0369
Echinococcus multilocularis muscleblind protein 0.0171 0.2951 0.3446
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0111 0.1706 0.1706
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0048 0.0384 0.0439
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0113 0.1731 0.2016
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.1521 0.177
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0947 0.0936
Brugia malayi Muscleblind-like protein 0.0171 0.2951 0.2943
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0103 0.1521 0.1521
Loa Loa (eye worm) hypothetical protein 0.0059 0.0603 0.0603
Loa Loa (eye worm) kinesin-like protein KLP2 0.0057 0.0557 0.0557
Echinococcus granulosus jumonji domain containing protein 0.0048 0.037 0.042
Entamoeba histolytica phosphofructokinase, putative 0.0124 0.1974 1
Onchocerca volvulus Glucosylceramidase homolog 0.0184 0.3237 0.3229
Schistosoma mansoni kinase 0.0057 0.0554 0.0739
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.2279 0.2279
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0111 0.1706 0.1986
Plasmodium falciparum phd finger protein, putative 0.0034 0.0087 0.0359
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0098 0.0101
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0035 0.0098 0.0101
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.1521 0.177
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0075 0.0949 0.1099
Toxoplasma gondii hypothetical protein 0.0056 0.0534 0.5975
Trichomonas vaginalis glucosylceramidase, putative 0.0281 0.5267 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.0947 0.0947
Loa Loa (eye worm) pigment dispersing factor receptor c 0.011 0.168 0.168
Trichomonas vaginalis phosphofructokinase, putative 0.0124 0.1974 0.3665
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0128 0.206 0.2401
Loa Loa (eye worm) jmjC domain-containing protein 0.0042 0.0239 0.0239
Brugia malayi Bromodomain containing protein 0.0038 0.0174 0.0162
Schistosoma mansoni hypothetical protein 0.0035 0.0097 0.0116
Giardia lamblia Kinesin-5 0.0057 0.0557 0.2977
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0035 0.0098 0.0101
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0097 0.0097
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.1521 0.2057
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0059 0.0607 0.0781
Echinococcus granulosus peregrin 0.0038 0.0174 0.019
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1706 0.3148
Trichomonas vaginalis glucosylceramidase, putative 0.0281 0.5267 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0111 0.1706 0.859
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0239 0.031
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0097 0.01
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0124 0.1974 0.2878
Mycobacterium ulcerans 6-phosphofructokinase 0.0124 0.1974 0.4824
Schistosoma mansoni hypothetical protein 0.0035 0.0097 0.0116
Echinococcus multilocularis geminin 0.0181 0.3166 0.3698
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0103 0.1521 0.1511
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0075 0.0949 0.4619
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0111 0.1706 0.1986
Brugia malayi serine/threonine-protein kinase plk-2 0.0111 0.1706 0.1696
Trichomonas vaginalis glucosylceramidase, putative 0.0281 0.5267 1
Trichomonas vaginalis glucosylceramidase, putative 0.0184 0.3237 0.6095
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0163 0.2796 0.414
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.1521 0.177
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.007 0.0847 0.1149
Trichomonas vaginalis glucosylceramidase, putative 0.0281 0.5267 1
Plasmodium falciparum histone acetyltransferase GCN5 0.0045 0.0318 0.511
Mycobacterium ulcerans hypothetical protein 0.0182 0.3184 1
Toxoplasma gondii isocitrate dehydrogenase 0.0035 0.0098 0.0369
Brugia malayi isocitrate dehydrogenase 0.0035 0.0098 0.0086
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.1521 0.2057
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0128 0.206 0.2401
Plasmodium vivax kinesin-5 0.0057 0.0557 1
Brugia malayi phosphofructokinase 0.0124 0.1974 0.1965
Echinococcus granulosus transcription factor Dp 1 0.0044 0.0282 0.0316
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.007 0.0847 0.0979
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0075 0.0949 0.0939
Brugia malayi 6-phosphofructokinase 0.0124 0.1974 0.1965
Entamoeba histolytica phosphofructokinase, putative 0.0124 0.1974 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.011 0.168 0.167
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0035 0.0098 0.0589
Schistosoma mansoni lozenge 0.0063 0.0698 0.0936
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0034 0.0069 0.5
Giardia lamblia Kinase, PLK 0.0111 0.1706 1
Brugia malayi hypothetical protein 0.0172 0.2993 0.2984
Echinococcus multilocularis lysine specific demethylase 5A 0.0042 0.0239 0.0266
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.0405 0.4316
Echinococcus multilocularis jumonji domain containing protein 0.0048 0.037 0.042
Trichomonas vaginalis CAMK family protein kinase 0.0111 0.1706 0.3148
Toxoplasma gondii kinesin motor domain-containing protein 0.0057 0.0557 0.6265
Trichomonas vaginalis phosphofructokinase, putative 0.0124 0.1974 0.3665
Loa Loa (eye worm) hypothetical protein 0.011 0.168 0.168
Echinococcus multilocularis muscleblind protein 1 0.0171 0.2951 0.3446
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0124 0.1974 0.5
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0097 0.0085
Loa Loa (eye worm) runx1 0.0063 0.0698 0.0698
Toxoplasma gondii aldehyde dehydrogenase 0.007 0.0847 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.011 0.168 0.167
Entamoeba histolytica kinesin, putative 0.0057 0.0557 0.2557
Schistosoma mansoni hypothetical protein 0.0181 0.3166 0.4298
Toxoplasma gondii PHD-finger domain-containing protein 0.0034 0.0087 0.0225
Brugia malayi jmjC domain containing protein 0.0113 0.1731 0.1721
Loa Loa (eye worm) PHD-finger family protein 0.0034 0.0087 0.0087
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0097 0.01
Trichomonas vaginalis phosphofructokinase, putative 0.0124 0.1974 0.3665
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.2279 0.2279
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0035 0.0098 0.0118
Echinococcus granulosus histone acetyltransferase KAT2B 0.0164 0.2804 0.3273
Trypanosoma cruzi polo-like protein kinase, putative 0.0111 0.1706 0.2466
Loa Loa (eye worm) hypothetical protein 0.0035 0.0097 0.0097
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0345 0.6616 1
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0281 0.5267 0.5261
Schistosoma mansoni hypothetical protein 0.0035 0.0097 0.0116
Trypanosoma cruzi polo-like protein kinase, putative 0.0111 0.1706 0.2466
Brugia malayi MH2 domain containing protein 0.0139 0.2279 0.227
Echinococcus multilocularis peregrin 0.0038 0.0174 0.019
Brugia malayi PHD-finger family protein 0.0034 0.0087 0.0075
Plasmodium falciparum kinesin-5 0.0057 0.0557 1
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0012 0.0012

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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