Detailed information for compound 1051909

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 348.89 | Formula: C18H21ClN2OS
  • H donors: 1 H acceptors: 1 LogP: 4.13 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccsc1c1occ(n1)CNC1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
  • InChi: 1S/C18H21ClN2OS/c19-15-1-2-23-17(15)18-21-14(9-22-18)8-20-16-12-4-10-3-11(6-12)7-13(16)5-10/h1-2,9-13,16,20H,3-8H2/t10-,11+,12-,13+,16?
  • InChiKey: WJWVQBDTSZIWSB-KZAAHDRASA-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
Toxoplasma gondii cytochrome p450 superfamily protein 0.0184 0.0482 0.3834
Brugia malayi Immunoglobulin I-set domain containing protein 0.0034 0.0032 0.0107
Leishmania major cytochrome p450-like protein 0.0184 0.0482 0.1606
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0442 0.1257 0.1793
Echinococcus granulosus intermediate filament protein 0.0028 0.0014 0.0012
Echinococcus granulosus lachesin 0.003 0.002 0.0021
Loa Loa (eye worm) hypothetical protein 0.0037 0.0042 0.014
Onchocerca volvulus Serine\/threonine kinase homolog 0.1012 0.2973 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0042 0.014
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0084 0.0284
Onchocerca volvulus 0.0624 0.1805 0.6071
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0042 0.014
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.002 0.0069
Schistosoma mansoni hypothetical protein 0.0037 0.0041 0.0036
Echinococcus multilocularis lamin 0.0028 0.0014 0.0012
Echinococcus granulosus contactin 0.0034 0.0032 0.0038
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0038 0.0129
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0042 0.0052
Brugia malayi hypothetical protein 0.0331 0.0924 0.3109
Entamoeba histolytica protein kinase, putative 0.0442 0.1257 0.4218
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0184 0.0482 0.7337
Trichomonas vaginalis AGC family protein kinase 0.0442 0.1257 0.4229
Brugia malayi glutaminase DH11.1 0.0281 0.0776 0.261
Schistosoma mansoni transcription factor btf3 0.0036 0.0038 0.0033
Echinococcus multilocularis roundabout 2 0.0034 0.0032 0.0038
Loa Loa (eye worm) cytochrome P450 family protein 0.0309 0.0858 0.2885
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.0069
Schistosoma mansoni cell adhesion molecule 0.003 0.002 0.0015
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0041 0.0052
Entamoeba histolytica protein kinase domain containing protein 0.0442 0.1257 0.4218
Onchocerca volvulus 0.003 0.0021 0.0069
Schistosoma mansoni vesicular amine transporter 0.0141 0.0355 0.035
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0042 0.0122
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0034 0.0032 0.0038
Entamoeba histolytica transcription factor BTF3, putative 0.0036 0.0038 0.0111
Echinococcus granulosus neuroglian 0.0158 0.0404 0.0571
Trypanosoma cruzi cytochrome P450, putative 0.0309 0.0858 0.2872
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.0184 0.0482 0.5397
Brugia malayi Immunoglobulin I-set domain containing protein 0.0034 0.0032 0.0107
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0184 0.0482 0.7337
Trichomonas vaginalis CAMK family protein kinase 0.1012 0.2973 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0014 0.0008
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.1012 0.2973 0.4251
Echinococcus granulosus serine:threonine protein kinase PLK1 0.1012 0.2973 0.4251
Echinococcus multilocularis aurora kinase A 0.0442 0.1257 0.1793
Schistosoma mansoni titin 0.003 0.0021 0.0015
Echinococcus multilocularis neuroglian 0.0034 0.0032 0.0038
Leishmania major protein kinase, putative 0.0442 0.1257 0.4218
Onchocerca volvulus 0.0037 0.0042 0.014
Trypanosoma brucei transcription factor BTF3, putative 0.0036 0.0038 0.0111
Schistosoma mansoni serine/threonine protein kinase 0.003 0.0021 0.0015
Loa Loa (eye worm) hypothetical protein 0.0037 0.0042 0.014
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0184 0.0482 0.7337
Schistosoma mansoni glutaminase 0.0281 0.0776 0.0771
Plasmodium falciparum basic transcription factor 3b, putative 0.0036 0.0038 0.0305
Brugia malayi beta-lactamase 0.0037 0.0042 0.014
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0184 0.0482 0.1606
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.0184 0.0482 0.5397
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0184 0.0482 0.7337
Loa Loa (eye worm) hypothetical protein 0.0171 0.0445 0.1498
Brugia malayi Cytochrome P450 family protein 0.0309 0.0858 0.2885
Entamoeba histolytica protein kinase , putative 0.0442 0.1257 0.4218
Onchocerca volvulus Basement membrane proteoglycan homolog 0.003 0.002 0.0069
Loa Loa (eye worm) glutaminase 0.0281 0.0776 0.261
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0041 0.0036
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.0184 0.0482 0.5397
Brugia malayi Immunoglobulin I-set domain containing protein 0.0145 0.0366 0.1232
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0042 0.0122
Schistosoma mansoni cytochrome P450 0.0184 0.0482 0.0477
Echinococcus multilocularis 0.0184 0.0482 0.0683
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0184 0.0482 0.1606
Brugia malayi Cytochrome P450 family protein 0.0728 0.2118 0.7125
Echinococcus granulosus lamin dm0 0.0028 0.0014 0.0012
Trypanosoma cruzi polo-like protein kinase, putative 0.1012 0.2973 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0042 0.014
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0079 0.0267
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.0184 0.0482 0.5397
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0184 0.0482 0.1606
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0309 0.0858 1
Schistosoma mansoni nephrin 0.0034 0.0032 0.0026
Echinococcus granulosus twitchin 0.0168 0.0434 0.0614
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.0069
Loa Loa (eye worm) hypothetical protein 0.0141 0.0355 0.1195
Toxoplasma gondii ABC1 family protein 0.0037 0.0042 0.0331
Schistosoma mansoni lamin 0.0028 0.0014 0.0008
Trichomonas vaginalis CAMK family protein kinase 0.1012 0.2973 1
Echinococcus granulosus defective proboscis extension response 0.0141 0.0355 0.0501
Loa Loa (eye worm) TK protein kinase 0.0134 0.0334 0.1124
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0042 0.0036
Trichomonas vaginalis CAMK family protein kinase 0.1012 0.2973 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.003 0.002 0.0069
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0042 0.014
Giardia lamblia Kinase, PLK 0.1012 0.2973 1
Loa Loa (eye worm) CYP4Cod1 0.0309 0.0858 0.2885
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0184 0.0482 0.7337
Schistosoma mansoni serine/threonine protein kinase 0.1012 0.2973 0.2969
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0041 0.0052
Schistosoma mansoni nephrin 0.0161 0.0415 0.041
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0794 0.2316 0.7792
Schistosoma mansoni titin 0.003 0.002 0.0015
Echinococcus granulosus tyrosine protein kinase otk 0.003 0.002 0.0021
Mycobacterium ulcerans glutaminase 0.0281 0.0776 0.8999
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0038 0.0111
Echinococcus multilocularis titin 0.003 0.0021 0.0022
Echinococcus granulosus roundabout 2 0.0034 0.0032 0.0038
Loa Loa (eye worm) hypothetical protein 0.003 0.0021 0.0071
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.002 0.0069
Schistosoma mansoni lamin 0.0028 0.0014 0.0008
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0442 0.1257 0.4218
Plasmodium falciparum protein kinase, putative 0.0025 0.0006 0.0044
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.0662 0.094
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0014 0.0046
Trypanosoma brucei polo-like protein kinase 0.1012 0.2973 1
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.0184 0.0482 0.5397
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0184 0.0482 0.7337
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0184 0.0482 0.1606
Echinococcus multilocularis geminin 0.0174 0.0455 0.0643
Echinococcus multilocularis hemicentin 1 0.003 0.002 0.0021
Schistosoma mansoni roundabout 0.003 0.002 0.0015
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0042 0.0036
Leishmania major basic transcription factor 3a, putative 0.0036 0.0038 0.0111
Onchocerca volvulus Tyrosine kinase homolog 0.0655 0.1899 0.6389
Echinococcus multilocularis roundabout 2 0.0034 0.0032 0.0038
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.003 0.002 0.0015
Mycobacterium leprae putative cytochrome p450 0.0184 0.0482 1
Loa Loa (eye worm) hypothetical protein 0.0171 0.0445 0.1498
Loa Loa (eye worm) hypothetical protein 0.0037 0.0042 0.014
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.002 0.0069
Brugia malayi beta-lactamase family protein 0.0037 0.0042 0.014
Echinococcus multilocularis lamin dm0 0.0028 0.0014 0.0012
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0031 0.0024 0.0027
Trichomonas vaginalis glutaminase, putative 0.0281 0.0776 0.261
Schistosoma mansoni hypothetical protein 0.0174 0.0455 0.0449
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0034 0.0032 0.0038
Trichomonas vaginalis CAMK family protein kinase 0.1012 0.2973 1
Trypanosoma cruzi aurora B kinase, putative 0.0442 0.1257 0.4218
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.0184 0.0482 0.5397
Schistosoma mansoni hypothetical protein 0.005 0.0079 0.0074
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0038 0.0129
Brugia malayi protein unc-22 0.003 0.0021 0.0069
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0184 0.0482 0.7337
Schistosoma mansoni hypothetical protein 0.0174 0.0455 0.0449
Echinococcus granulosus roundabout 2 0.0175 0.0457 0.0646
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0442 0.1257 1
Loa Loa (eye worm) hypothetical protein 0.0331 0.0924 0.3109
Echinococcus granulosus aurora kinase A 0.0442 0.1257 0.1793
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0184 0.0482 0.7337
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0184 0.0482 0.7337
Loa Loa (eye worm) ICD-1 protein 0.0036 0.0038 0.0129
Echinococcus multilocularis musashi 0.0028 0.0014 0.0012
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.0184 0.0482 0.5397
Brugia malayi serine/threonine-protein kinase 6 0.0442 0.1257 0.4229
Toxoplasma gondii NAC domain-containing protein 0.0036 0.0038 0.0305
Onchocerca volvulus 0.0028 0.0014 0.0046
Entamoeba histolytica hypothetical protein 0.0037 0.0041 0.0121
Entamoeba histolytica protein kinase, putative 0.0442 0.1257 0.4218
Brugia malayi Cytochrome P450 family protein 0.0184 0.0482 0.1621
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0442 0.1257 0.1793
Onchocerca volvulus 0.0028 0.0014 0.0046
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0044 0.0062 0.0208
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.03 0.1008
Trichomonas vaginalis CAMK family protein kinase 0.1012 0.2973 1
Trichomonas vaginalis AGC family protein kinase 0.0442 0.1257 0.4229
Loa Loa (eye worm) hypothetical protein 0.0125 0.0306 0.1029
Brugia malayi Peroxidasin 0.003 0.0021 0.0071
Loa Loa (eye worm) glutaminase 2 0.0281 0.0776 0.261
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0042 0.014
Echinococcus granulosus transcription factor btf3 0.0036 0.0038 0.0047
Plasmodium falciparum serine/threonine protein kinase, putative 0.0442 0.1257 1
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0835 0.2439 0.3486
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0184 0.0482 0.7337
Entamoeba histolytica hypothetical protein 0.0037 0.0041 0.0121
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.0069
Schistosoma mansoni hypothetical protein 0.0184 0.0482 0.0477
Brugia malayi intermediate filament protein 0.0028 0.0014 0.0046
Trypanosoma cruzi polo-like protein kinase, putative 0.1012 0.2973 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0141 0.0355 0.035
Mycobacterium leprae Conserved hypothetical protein 0.0184 0.0482 1
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0034 0.0032 0.0038
Loa Loa (eye worm) TK/ROR protein kinase 0.0031 0.0024 0.0082
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0184 0.0482 0.7337
Schistosoma mansoni survival motor neuron protein 0.005 0.0079 0.0074
Echinococcus granulosus microtubule associated protein 2 0.071 0.2066 0.2951
Brugia malayi serine/threonine protein kinase 6 0.0442 0.1257 0.4229
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0033 0.0028 0.0095
Brugia malayi beta-NAC-like protein 0.0036 0.0038 0.0129
Trypanosoma cruzi cytochrome P450, putative 0.0309 0.0858 0.2872
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.003 0.0021 0.0069
Echinococcus multilocularis Immunoglobulin 0.0141 0.0355 0.0501
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.0184 0.0482 0.5397
Echinococcus multilocularis transcription factor btf3 0.0036 0.0038 0.0047
Echinococcus multilocularis tyrosine protein kinase otk 0.003 0.002 0.0021
Brugia malayi serine/threonine-protein kinase plk-2 0.1012 0.2973 1
Trichomonas vaginalis AGC family protein kinase 0.0442 0.1257 0.4229
Brugia malayi Cytochrome P450 family protein 0.0309 0.0858 0.2885
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.002 0.0069
Loa Loa (eye worm) hypothetical protein 0.0145 0.0366 0.1232
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.2348 0.6987 1
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.0118 0.0285 0.04
Brugia malayi hypothetical protein 0.0037 0.0041 0.014
Schistosoma mansoni serine/threonine protein kinase 0.0026 0.0009 0.0004
Trichomonas vaginalis CAMK family protein kinase 0.1012 0.2973 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0012 0.0041
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0184 0.0482 0.7337
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.1012 0.2973 1
Leishmania major cytochrome p450-like protein 0.0184 0.0482 0.1606
Echinococcus multilocularis peroxidasin 0.003 0.0021 0.0022
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0031 0.0024 0.0027
Echinococcus granulosus neuroglian 0.0034 0.0032 0.0038
Brugia malayi hypothetical protein 0.0243 0.0662 0.2226
Loa Loa (eye worm) hypothetical protein 0.0051 0.0084 0.0284
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.0021 0.0069
Loa Loa (eye worm) beta-lactamase 0.0037 0.0042 0.014
Echinococcus multilocularis hemicentin 1 0.003 0.002 0.0021
Schistosoma mansoni protein kinase 0.0442 0.1257 0.1252
Brugia malayi Fibronectin type III domain containing protein 0.0145 0.0366 0.1232
Loa Loa (eye worm) hypothetical protein 0.0037 0.0042 0.014
Echinococcus multilocularis neuroglian 0.0158 0.0404 0.0571
Entamoeba histolytica serine/threonine protein kinase, putative 0.1012 0.2973 1
Trichomonas vaginalis AGC family protein kinase 0.0442 0.1257 0.4229
Echinococcus granulosus titin 0.003 0.0021 0.0022
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.0184 0.0482 0.5397
Plasmodium vivax basic transcription factor 3b, putative 0.0036 0.0038 0.0305
Brugia malayi beta-lactamase family protein 0.0037 0.0042 0.014
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0141 0.0355 0.035
Onchocerca volvulus 0.0037 0.0042 0.014
Schistosoma mansoni hypothetical protein 0.0035 0.0036 0.003
Loa Loa (eye worm) hypothetical protein 0.0028 0.0014 0.0046
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0014 0.0046
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0014 0.0046
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.003 0.002 0.0069
Echinococcus granulosus cytochrome P450 2K1 0.0184 0.0482 0.0683
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.0069
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.0642 1
Echinococcus multilocularis lachesin 0.003 0.002 0.0021
Brugia malayi serine/threonine kinase 12 0.0442 0.1257 0.4229
Loa Loa (eye worm) hypothetical protein 0.0243 0.0662 0.2226
Schistosoma mansoni cell adhesion molecule 0.0159 0.0408 0.0402
Brugia malayi hypothetical protein 0.0145 0.0366 0.1232
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0042 0.0122
Trypanosoma cruzi transcription factor btf3, putative 0.0036 0.0038 0.0111
Echinococcus multilocularis microtubule associated protein 2 0.071 0.2066 0.2951
Echinococcus multilocularis Immunoglobulin 0.0141 0.0355 0.0501
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0184 0.0482 0.7337
Loa Loa (eye worm) hypothetical protein 0.0034 0.0032 0.0107
Echinococcus granulosus titin 0.003 0.0021 0.0022
Schistosoma mansoni tyrosine kinase 0.0045 0.0066 0.006
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.1012 0.2973 1
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.03 0.1008
Loa Loa (eye worm) hypothetical protein 0.0037 0.0042 0.014
Schistosoma mansoni cell adhesion molecule 0.0034 0.0032 0.0026
Echinococcus multilocularis fibroblast growth factor receptor 4 0.0118 0.0285 0.04
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0034 0.0032 0.0038
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.0184 0.0482 0.5397
Loa Loa (eye worm) AUR protein kinase 0.0442 0.1257 0.4229
Loa Loa (eye worm) CAMK protein kinase 0.003 0.0021 0.0069
Schistosoma mansoni neuroglian 0.0034 0.0032 0.0026
Leishmania major hypothetical protein, conserved 0.0037 0.0042 0.0122
Schistosoma mansoni tyrosine kinase 0.0118 0.0285 0.028
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0034 0.0032 0.0038
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.0069
Onchocerca volvulus 0.0037 0.0042 0.014
Trichomonas vaginalis CAMK family protein kinase 0.1012 0.2973 1
Echinococcus granulosus peroxidasin 0.003 0.0021 0.0022
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.002 0.0069
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0155 0.0396 0.056
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0084 0.0284
Trypanosoma brucei aurora B kinase 0.0442 0.1257 0.4218
Loa Loa (eye worm) hypothetical protein 0.0155 0.0396 0.1333
Loa Loa (eye worm) hypothetical protein 0.0145 0.0366 0.1232
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0184 0.0482 0.7337
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0034 0.0032 0.0107
Loa Loa (eye worm) cytochrome P450 0.0184 0.0482 0.1621
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0184 0.0482 0.5397
Schistosoma mansoni cell adhesion molecule 0.0034 0.0032 0.0026
Loa Loa (eye worm) hypothetical protein 0.0035 0.0036 0.012
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.0184 0.0482 0.5397
Brugia malayi Immunoglobulin I-set domain containing protein 0.003 0.002 0.0069
Onchocerca volvulus 0.005 0.0079 0.0267
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.2348 0.6987 1
Echinococcus granulosus Immunoglobulin 0.0141 0.0355 0.0501
Echinococcus multilocularis roundabout 2 0.0175 0.0457 0.0646
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.0184 0.0482 0.5397
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0042 0.014
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.003 0.002 0.0021
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0042 0.0052
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0184 0.0482 0.7337
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0442 0.1257 0.4218
Brugia malayi Immunoglobulin I-set domain containing protein 0.0134 0.0334 0.1124
Brugia malayi cytochrome P450 0.0184 0.0482 0.1621
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.0184 0.0482 0.5397
Loa Loa (eye worm) AUR protein kinase 0.0442 0.1257 0.4229
Brugia malayi Immunoglobulin I-set domain containing protein 0.0794 0.2316 0.7792
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.0184 0.0482 0.5397
Brugia malayi Immunoglobulin I-set domain containing protein 0.0033 0.0028 0.0095
Schistosoma mansoni serine/threonine protein kinase 0.0442 0.1257 0.1252
Leishmania major cytochrome p450-like protein 0.0309 0.0858 0.2872
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0034 0.0032 0.0026
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0184 0.0482 0.1606
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0184 0.0482 0.7337
Echinococcus multilocularis twitchin 0.0026 0.0009 0.0005
Loa Loa (eye worm) hypothetical protein 0.0145 0.0366 0.1232
Trypanosoma brucei cytochrome P450, putative 0.0309 0.0858 0.2872
Brugia malayi Prion-like- 0.003 0.002 0.0069
Schistosoma mansoni microtubule-associated protein tau 0.071 0.2066 0.2061
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0184 0.0482 0.7337
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0042 0.014
Toxoplasma gondii aurora kinase 0.0442 0.1257 1
Entamoeba histolytica hypothetical protein 0.0037 0.0041 0.0121
Echinococcus granulosus hemicentin 1 0.003 0.002 0.0021
Loa Loa (eye worm) cytochrome P450 family protein 0.0309 0.0858 0.2885
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0084 0.0284
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0442 0.1257 0.4218
Schistosoma mansoni septate junction protein 0.003 0.002 0.0015
Brugia malayi MH2 domain containing protein 0.0123 0.03 0.1008
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.0118 0.0285 0.04
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.0662 0.094
Entamoeba histolytica hypothetical protein 0.0036 0.0038 0.0111
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0042 0.014
Loa Loa (eye worm) hypothetical protein 0.003 0.002 0.0069
Brugia malayi Immunoglobulin I-set domain containing protein 0.0034 0.0032 0.0107
Echinococcus granulosus lamin 0.0028 0.0014 0.0012
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0036 0.012
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.0184 0.0482 0.5397
Echinococcus granulosus roundabout 2 0.0034 0.0032 0.0038
Loa Loa (eye worm) hypothetical protein 0.0142 0.0356 0.1197
Trichomonas vaginalis esterase, putative 0.0037 0.0042 0.014
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0184 0.0482 0.7337
Entamoeba histolytica hypothetical protein 0.0037 0.0041 0.0121
Echinococcus granulosus fibroblast growth factor receptor 4 0.0118 0.0285 0.04
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0038 0.0129
Loa Loa (eye worm) AUR protein kinase 0.0442 0.1257 0.4229
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.0184 0.0482 0.5397
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0184 0.0482 0.7337
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0141 0.0355 0.0501
Schistosoma mansoni septate junction protein 0.003 0.002 0.0015
Loa Loa (eye worm) hypothetical protein 0.0141 0.0355 0.1195
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0042 0.0331
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.0184 0.0482 0.5397
Echinococcus granulosus geminin 0.0174 0.0455 0.0643
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.0184 0.0482 0.5397
Loa Loa (eye worm) cytochrome P450 family protein 0.0728 0.2118 0.7125
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.0184 0.0482 0.5397
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0184 0.0482 0.7337
Toxoplasma gondii calcium dependent protein kinase CDPK8 0.0025 0.0006 0.0044

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 5 ug/ml DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro ChEMBL. No reference
IC50 = 10.57 ug/ml DNDI: Cytotoxicity against L929 mouse fibroblasts, 72 hour. ChEMBL. No reference
IC50 > 50 ug/ml DNDI: Cytotoxicity against L929 mouse fibroblasts, CYTO-SP, 24 hour ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23
Trypanosoma brucei ChEMBL23
Trypanosoma brucei gambiense

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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