Detailed information for compound 1014620

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 482.82 | Formula: C24H17BrClNOS
  • H donors: 1 H acceptors: 1 LogP: 7.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)S/C(=C/c1c[nH]c2c1cc(Cl)cc2)/C(=O)c1ccc(cc1)Br
  • InChi: 1S/C24H17BrClNOS/c1-15-2-9-20(10-3-15)29-23(24(28)16-4-6-18(25)7-5-16)12-17-14-27-22-11-8-19(26)13-21(17)22/h2-14,27H,1H3/b23-12+
  • InChiKey: POOBYRHZKAWOFR-FSJBWODESA-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
Echinococcus multilocularis unc 13 (munc13) 0.0072 0.1743 0.164
Loa Loa (eye worm) TK protein kinase 0.0034 0.0615 0.0615
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.1794 0.1459
Trichomonas vaginalis AGC family protein kinase 0.0077 0.1916 0.1452
Loa Loa (eye worm) TK/INSR protein kinase 0.0048 0.1028 0.1028
Leishmania major protein kinase A catalytic subunit isoform 1 0.0121 0.3231 0.5
Brugia malayi protein kinase C II. 0.0281 0.806 1
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0073 0.1794 0.1709
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0073 0.1794 0.1794
Entamoeba histolytica protein kinase, putative 0.0077 0.1916 0.4154
Entamoeba histolytica hypothetical protein 0.0065 0.1556 0.3095
Loa Loa (eye worm) hypothetical protein 0.0337 0.9762 0.9762
Echinococcus granulosus unc 13 munc13 0.0072 0.1743 0.164
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0121 0.3231 1
Loa Loa (eye worm) SRC-1 0.0038 0.0724 0.0724
Echinococcus multilocularis insulin receptor 0.0048 0.1028 0.0694
Schistosoma mansoni serine/threonine kinase 0.0073 0.1794 0.1459
Echinococcus multilocularis serine threonine protein kinase 0.0196 0.5498 0.6609
Entamoeba histolytica protein kinase, putative 0.0073 0.1794 0.3796
Loa Loa (eye worm) hypothetical protein 0.0272 0.7785 0.7785
Schistosoma mansoni atypical protein kinase C 0.0226 0.6402 0.7739
Entamoeba histolytica PH domain containing protein kinase, putative 0.0143 0.3906 1
Schistosoma mansoni tyrosine kinase 0.008 0.1993 0.173
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.008 0.1993 0.1972
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0121 0.3231 0.361
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.1657 0.1273
Loa Loa (eye worm) hypothetical protein 0.0065 0.1556 0.1556
Echinococcus granulosus tyrosine kinase 0.0034 0.0615 0.0148
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0073 0.1794 0.1709
Entamoeba histolytica protein kinase, putative 0.0073 0.1794 0.3796
Schistosoma mansoni serine/threonine protein kinase 0.0262 0.7474 0.9201
Schistosoma mansoni tyrosine kinase 0.0048 0.1028 0.0414
Echinococcus multilocularis 0.0045 0.0952 0.0594
Schistosoma mansoni rac gtpase activating protein 0.0065 0.1556 0.1134
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0069 0.1668 0.1542
Entamoeba histolytica PH domain containing protein kinase, putative 0.0125 0.3353 0.8377
Onchocerca volvulus 0.0189 0.5297 0.5883
Onchocerca volvulus 0.0185 0.5175 0.5681
Echinococcus granulosus Rac GTPase activating protein 1 0.0065 0.1556 0.1394
Echinococcus granulosus tyrosine protein kinase Src64B 0.0038 0.0724 0.0292
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0121 0.3231 0.361
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0069 0.1657 0.1528
Echinococcus multilocularis tyrosine protein kinase Srms 0.0034 0.0615 0.0148
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.0724 0.0292
Echinococcus granulosus tyrosine protein kinase Lyn 0.0041 0.0825 0.0427
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.0724 0.0292
Trichomonas vaginalis AGC family protein kinase 0.0077 0.1916 0.1452
Echinococcus multilocularis tyrosine protein kinase Blk 0.0034 0.0615 0.0148
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0072 0.1743 0.164
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0038 0.0724 0.0292
Brugia malayi Protein kinase c protein 2 0.0192 0.5361 0.6651
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0724 0.0292
Brugia malayi p70 ribosomal S6 kinase beta 0.0073 0.1794 0.2226
Echinococcus multilocularis raf serine:threonine protein kinase 0.0067 0.1613 0.1468
Brugia malayi diacylglycerol kinase 0.0065 0.1556 0.193
Entamoeba histolytica protein kinase, putative 0.0077 0.1916 0.4154
Loa Loa (eye worm) AGC/PKN protein kinase 0.0073 0.1794 0.1794
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0048 0.1028 0.0694
Schistosoma mansoni tyrosine kinase 0.0078 0.1936 0.1653
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0121 0.3231 1
Echinococcus multilocularis protein kinase c epsilon type 0.0281 0.806 1
Entamoeba histolytica diacylglycerol kinase, putative 0.0065 0.1556 0.3095
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0189 0.5277 0.6547
Loa Loa (eye worm) hypothetical protein 0.007 0.1678 0.1678
Echinococcus granulosus epidermal growth factor receptor 0.008 0.1993 0.1972
Loa Loa (eye worm) hypothetical protein 0.012 0.3199 0.3199
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0073 0.1794 0.1794
Loa Loa (eye worm) AGC/NDR protein kinase 0.0073 0.1794 0.1794
Echinococcus granulosus RNA directed DNA polymerase 0.0117 0.3096 0.3431
Echinococcus multilocularis N chimaerin 0.0069 0.1668 0.1542
Entamoeba histolytica diacylglycerol kinase, putative 0.0065 0.1556 0.3095
Echinococcus multilocularis serine:threonine protein kinase N2 0.0209 0.5897 0.7138
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0121 0.3231 0.361
Loa Loa (eye worm) hypothetical protein 0.012 0.3199 0.3199
Brugia malayi Hr1 repeat family protein 0.0073 0.1794 0.2226
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0069 0.1668 0.1542
Brugia malayi Protein kinase domain containing protein 0.0048 0.1028 0.1275
Loa Loa (eye worm) hypothetical protein 0.0272 0.7785 0.7785
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0038 0.0724 0.0292
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0038 0.0724 0.0292
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0121 0.3231 0.4009
Schistosoma mansoni diacylglycerol kinase theta 0.0065 0.1556 0.1134
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0724 0.0292
Echinococcus multilocularis protein kinase c iota type 0.022 0.6222 0.7567
Echinococcus multilocularis epidermal growth factor receptor 0.0148 0.4044 0.4686
Schistosoma mansoni serine/threonine protein kinase 0.0121 0.3231 0.3418
Trichomonas vaginalis AGC family protein kinase 0.0073 0.1794 0.0659
Loa Loa (eye worm) AGC/AKT protein kinase 0.0077 0.1916 0.1916
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0121 0.3231 0.5
Loa Loa (eye worm) AGC/PKA protein kinase 0.0121 0.3231 0.3231
Echinococcus granulosus N chimaerin 0.0069 0.1668 0.1542
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0073 0.1794 0.1709
Schistosoma mansoni protein kinase C mu 0.0065 0.1556 0.1134
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0032 0.0558 0.0073
Echinococcus granulosus tyrosine protein kinase Src42A 0.0032 0.0558 0.0073
Giardia lamblia Kinase, AGC PKA 0.0121 0.3231 0.5
Echinococcus multilocularis epidermal growth factor receptor 0.008 0.1993 0.1972
Echinococcus granulosus Protein kinase C brain isozyme 0.0262 0.7474 0.9224
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0073 0.1794 0.1794
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0121 0.3231 0.5
Brugia malayi protein-tyrosine kinase 0.0034 0.0615 0.0763
Echinococcus granulosus NDR protein kinase 0.0073 0.1794 0.1709
Brugia malayi RhoGAP domain containing protein 0.0065 0.1556 0.193
Echinococcus granulosus protein kinase c epsilon type 0.0281 0.806 1
Echinococcus granulosus Diacylglycerol kinase theta 0.0065 0.1556 0.1394
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0073 0.1794 0.1794
Echinococcus granulosus tyrosine protein kinase Fyn 0.0038 0.0724 0.0292
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0156 0.4288 0.4288
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0069 0.1657 0.1528
Trichomonas vaginalis AGC family protein kinase 0.0077 0.1916 0.1452
Schistosoma mansoni hypothetical protein 0.0065 0.1556 0.1134
Schistosoma mansoni tyrosine kinase 0.0048 0.1028 0.0414
Loa Loa (eye worm) TK protein kinase 0.0031 0.0503 0.0503
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0069 0.1668 0.1287
Loa Loa (eye worm) hypothetical protein 0.0065 0.1556 0.1556
Loa Loa (eye worm) hypothetical protein 0.0121 0.3231 0.3231
Echinococcus granulosus epidermal growth factor receptor 0.0148 0.4044 0.4686
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0118 0.313 0.3476
Loa Loa (eye worm) raf kinase 0.0065 0.1556 0.1556
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0072 0.1743 0.164
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0069 0.1668 0.1287
Schistosoma mansoni tyrosine kinase 0.008 0.1993 0.173
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0038 0.0724 0.0292
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0281 0.806 0.806
Echinococcus granulosus tyrosine protein kinase Src42A 0.0038 0.0724 0.0292
Loa Loa (eye worm) hypothetical protein 0.0072 0.1743 0.1743
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0038 0.0724 0.0292
Loa Loa (eye worm) RasGEF domain-containing protein 0.0065 0.1556 0.1556
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0121 0.3231 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0139 0.3784 0.4341
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0073 0.1794 0.1709
Brugia malayi diacylglycerol kinase 0.0065 0.1556 0.193
Trichomonas vaginalis AGC family protein kinase 0.0077 0.1916 0.1452
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0038 0.0724 0.0292
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0038 0.0724 0.0292
Brugia malayi SRC-1 0.0038 0.0724 0.0898
Schistosoma mansoni protein kinase C 0.0072 0.1743 0.1389
Trichomonas vaginalis AGC family protein kinase 0.0077 0.1916 0.1452
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0123 0.33 0.33
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0073 0.1794 0.1709
Toxoplasma gondii AGC kinase 0.0073 0.1794 0.1423
Echinococcus multilocularis serine:threonine protein kinase 38 0.0073 0.1794 0.1709
Schistosoma mansoni diacylglycerol kinase theta 0.0065 0.1556 0.1134
Echinococcus granulosus protein kinase c iota type 0.022 0.6222 0.7567
Trichomonas vaginalis AGC family protein kinase 0.0073 0.1794 0.0659
Brugia malayi Pleckstrin Homology Domain 0.007 0.1678 0.2082
Schistosoma mansoni tyrosine kinase 0.0148 0.4044 0.4526
Echinococcus granulosus raf serine:threonine protein kinase 0.0067 0.1613 0.1468
Echinococcus granulosus protein kinase C gamma type 0.0196 0.5498 0.6609
Trichomonas vaginalis AGC family protein kinase 0.0077 0.1916 0.1452
Echinococcus multilocularis RNA directed DNA polymerase 0.0117 0.3096 0.3431
Brugia malayi RhoGEF domain containing protein 0.0065 0.1556 0.193
Schistosoma mansoni unc-13 (munc13) 0.0072 0.1743 0.1389
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0118 0.313 0.3476
Echinococcus multilocularis Rac GTPase activating protein 1 0.0065 0.1556 0.1394
Leishmania major protein kinase A catalytic subunit isoform 2 0.0121 0.3231 0.5
Schistosoma mansoni protein kinase C mu 0.0189 0.5277 0.6206
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0073 0.1794 0.1709
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0121 0.3231 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.5073 0.5073
Brugia malayi C1-like domain containing protein 0.0189 0.5277 0.6547
Loa Loa (eye worm) AGC/PKA protein kinase 0.0121 0.3231 0.3231
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0038 0.0724 0.0292
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.1794 0.1459
Echinococcus multilocularis protein kinase c eta type 0.0065 0.1556 0.1394
Loa Loa (eye worm) hypothetical protein 0.0272 0.7785 0.7785
Schistosoma mansoni tyrosine kinase 0.0078 0.1936 0.1653
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.1794 0.1459
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0126 0.3384 0.3384
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0121 0.3231 0.361
Loa Loa (eye worm) TK/EGFR protein kinase 0.0148 0.4044 0.4044
Loa Loa (eye worm) hypothetical protein 0.0065 0.1556 0.1556
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0121 0.3231 0.361
Brugia malayi protein kinase C3,putative 0.015 0.4108 0.5097
Brugia malayi Ras association domain family 1 isoform A 0.0065 0.1556 0.193
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0121 0.3231 0.361
Echinococcus granulosus serine:threonine protein kinase N2 0.0073 0.1794 0.1709
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0189 0.5277 0.5277
Schistosoma mansoni serine/threonine protein kinase 0.0281 0.806 1
Brugia malayi RhoGAP domain containing protein 0.0069 0.1668 0.2069
Onchocerca volvulus 0.012 0.3199 0.241
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0121 0.3231 0.361
Loa Loa (eye worm) hypothetical protein 0.0065 0.1556 0.1556
Onchocerca volvulus 0.0272 0.7785 1
Loa Loa (eye worm) hypothetical protein 0.0065 0.1556 0.1556
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0069 0.1668 0.1668
Loa Loa (eye worm) hypothetical protein 0.0065 0.1556 0.1556
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0034 0.0615 0.0148
Schistosoma mansoni serine/threonine protein kinase 0.0069 0.1657 0.1273
Schistosoma mansoni serine/threonine protein kinase 0.0121 0.3231 0.3418
Schistosoma mansoni serine/threonine protein kinase 0.0067 0.1613 0.1211
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0121 0.3231 0.5
Echinococcus granulosus insulin receptor 0.0048 0.1028 0.0694
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0121 0.3231 0.5
Echinococcus granulosus protein kinase c eta type 0.0065 0.1556 0.1394
Brugia malayi Protein kinase domain containing protein 0.0073 0.1794 0.2226
Brugia malayi Protein kinase domain containing protein 0.0077 0.1916 0.2378
Schistosoma mansoni serine/threonine protein kinase 0.0262 0.7474 0.9201
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0065 0.1556 0.1556
Brugia malayi Variant SH3 domain containing protein 0.0069 0.1668 0.2069
Brugia malayi Furin-like cysteine rich region family protein 0.0148 0.4044 0.5018
Echinococcus granulosus myotubularin protein 13 0.007 0.1678 0.1555
Trichomonas vaginalis AGC family protein kinase 0.0121 0.3231 1
Echinococcus granulosus tyrosine protein kinase Blk 0.0034 0.0615 0.0148
Toxoplasma gondii AGC kinase 0.0121 0.3231 1
Trichomonas vaginalis AGC family protein kinase 0.0077 0.1916 0.1452
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0065 0.1556 0.1556
Loa Loa (eye worm) hypothetical protein 0.0189 0.5297 0.5297
Trichomonas vaginalis AGC family protein kinase 0.0077 0.1916 0.1452
Echinococcus multilocularis Diacylglycerol kinase theta 0.0065 0.1556 0.1394
Leishmania major protein kinase A catalytic subunit 0.0121 0.3231 0.5
Toxoplasma gondii AGC kinase 0.0121 0.3231 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0034 0.0615 0.0148
Loa Loa (eye worm) hypothetical protein 0.0117 0.3096 0.3096
Schistosoma mansoni serine/threonine protein kinase 0.0073 0.1794 0.1459
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0121 0.3231 0.5
Entamoeba histolytica PH domain containing protein kinase, putative 0.0125 0.3353 0.8377
Brugia malayi Protein kinase domain containing protein 0.0073 0.1794 0.2226
Schistosoma mansoni tyrosine kinase 0.0078 0.1936 0.1653
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0121 0.3231 1
Brugia malayi Protein kinase domain containing protein 0.0069 0.1657 0.2056
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0117 0.3096 0.3431
Loa Loa (eye worm) hypothetical protein 0.0185 0.5175 0.5175
Trichomonas vaginalis AGC family protein kinase 0.0073 0.1794 0.0659
Schistosoma mansoni vav2 0.0073 0.179 0.1453
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0262 0.7474 0.9224
Schistosoma mansoni serine/threonine protein kinase 0.0121 0.3231 0.3418
Echinococcus multilocularis serine:threonine protein kinase N2 0.0073 0.1794 0.1709
Echinococcus multilocularis myotubularin protein 13 0.007 0.1678 0.1555
Schistosoma mansoni unc-13 (munc13) 0.0072 0.1743 0.1389
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0038 0.0724 0.0292
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0048 0.1028 0.0694

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) = 1 uM Growth inhibition of human K562 cells expressing p210Bcr/Abl after 96 hrs by trypan blue exclusion assay ChEMBL. 20188579
GI50 (functional) = 1 uM Growth inhibition of human DU145 cells after 96 hrs by trypan blue exclusion assay ChEMBL. 20188579

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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