Detailed information for compound 1581006

Basic information

Technical information
  • TDR Targets ID: 1581006
  • Name: 2-[[2-chloro-6-(4-chloro-3-nitrophenyl)imidaz o[2,3-b][1,3]thiazol-5-yl]methylideneamino]gu anidine hydrochloride
  • MW: 434.688 | Formula: C13H10Cl3N7O2S
  • H donors: 2 H acceptors: 3 LogP: 4.84 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)N/N=C/c1c(nc2n1cc(s2)Cl)c1ccc(c(c1)[N+](=O)[O-])Cl.Cl
  • InChi: 1S/C13H9Cl2N7O2S.ClH/c14-7-2-1-6(3-8(7)22(23)24)11-9(4-18-20-12(16)17)21-5-10(15)25-13(21)19-11;/h1-5H,(H4,16,17,20);1H/b18-4+;
  • InChiKey: ZRPFPSBIWKABOK-BLSWVXOOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[[2-chloro-6-(4-chloro-3-nitro-phenyl)imidazo[2,3-b]thiazol-5-yl]methyleneamino]guanidine hydrochloride
  • 2-[[2-chloro-6-(4-chloro-3-nitrophenyl)-5-imidazo[2,3-b]thiazolyl]methyleneamino]guanidine hydrochloride
  • 2-[[2-chloro-6-(4-chloro-3-nitro-phenyl)imidazo[2,3-b][1,3]thiazol-5-yl]methylideneamino]guanidine hydrochloride
  • NSC722868

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ribosomal protein S6 kinase, 90kDa, polypeptide 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) AGC/RSK/RSK protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum Ribosomal protein S6 kinase alpha-2, putative Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum IPR000719,Protein kinase,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania donovani rac serine-threonine kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania infantum rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania mexicana rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
Giardia lamblia Kinase, AGC AKT Get druggable targets OG5_128147 All targets in OG5_128147
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Schistosoma japonicum IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing Get druggable targets OG5_128147 All targets in OG5_128147
Candida albicans Serine/threonine protein kinase Get druggable targets OG5_128147 All targets in OG5_128147
Brugia malayi ribosomal protein S6 kinase alpha 3 Get druggable targets OG5_128147 All targets in OG5_128147
Leishmania braziliensis rac serine-threonine kinase, putative,protein kinase, putative Get druggable targets OG5_128147 All targets in OG5_128147
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 transient receptor potential channel 0.0101 0.1 0.8029
Brugia malayi Cytochrome P450 family protein 0.0032 0.0292 0.0721
Echinococcus granulosus short transient receptor potential channel 6 0.0101 0.1 0.1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0373 0.1262
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit 0.0101 0.1 0.2575
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0125 0.1246 1
Echinococcus multilocularis tyrosine protein kinase Blk 0.0021 0.0182 0.0182
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0145 0.0044
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0101 0.1 0.1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0101 0.1 0.8029
Schistosoma mansoni serine/threonine protein kinase 0.0118 0.1172 0.9407
Leishmania major carnitine palmitoyltransferase-like protein 0.004 0.0373 0.1262
Loa Loa (eye worm) AGC/NDR protein kinase 0.0017 0.0145 0.0337
Brugia malayi protein kinase C II. 0.0017 0.0145 0.0337
Brugia malayi Transient-receptor-potential like protein 0.0101 0.1 0.2575
Trypanosoma cruzi inositol 1,4,5-trisphosphate receptor, putative 0.0101 0.1 0.4319
Brugia malayi ribosomal protein S6 kinase alpha 3 0.0101 0.1001 0.2576
Loa Loa (eye worm) TK protein kinase 0.0021 0.0182 0.0433
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0101 0.1 0.1
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.0114 0.0255
Echinococcus granulosus NCK adaptor protein 0.0005 0.0016 0.0016
Echinococcus granulosus transient receptor potential cation channel 0.0101 0.1 0.1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0023 0.0205 0.0205
Brugia malayi hypothetical protein 0.0101 0.1 0.2575
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0014 0.0114 0.5
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0017 0.0145 0.0145
Trypanosoma brucei cytochrome P450, putative 0.0032 0.0292 0.2009
Loa Loa (eye worm) SRC-1 0.0023 0.0205 0.0493
Loa Loa (eye worm) choline O-acetyltransferase 0.004 0.0373 0.0933
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.004 0.0373 0.2921
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0101 0.1 0.1
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0014 0.0114 0.5
Echinococcus multilocularis voltage gated potassium channel 0.0101 0.1 0.1
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0145 0.0044
Loa Loa (eye worm) voltage-gated potassium channel 0.0101 0.1 0.2575
Echinococcus granulosus transient receptor potential cation channel 0.0101 0.1 0.1
Brugia malayi Hr1 repeat family protein 0.0017 0.0145 0.0337
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0023 0.0205 0.0205
Schistosoma mansoni nck2/grb4 0.0005 0.0016 0.0131
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.004 0.0373 0.0373
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0005 0.0016 0.0131
Schistosoma mansoni calcium channel voltage-dependent p/q type alpha 1a-related 0.0101 0.1 0.8029
Trypanosoma brucei inositol 1,4,5-trisphosphate receptor 0.0101 0.1 1
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0145 0.1163
Echinococcus multilocularis c src tyrosine kinase 0.0005 0.0023 0.0023
Trypanosoma cruzi choline/carnitine O-acetyltransferase, putative 0.004 0.0373 0.1262
Echinococcus multilocularis serine:threonine protein kinase N2 0.0017 0.0145 0.0145
Echinococcus granulosus tyrosine protein kinase HCK 0.0019 0.0158 0.0158
Schistosoma mansoni apoptosis regulator bax 0.0125 0.1246 1
Toxoplasma gondii transporter, cation channel family protein 0.0101 0.1 1
Echinococcus multilocularis transient receptor potential cation channel 0.0101 0.1 0.1
Schistosoma mansoni adapter molecule crk 0.0005 0.0016 0.0131
Echinococcus granulosus tyrosine protein kinase Fyn 0.0023 0.0205 0.0205
Loa Loa (eye worm) voltage-dependent calcium channel 0.0101 0.1 0.2575
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Brugia malayi Choline O-acetyltransferase 0.004 0.0373 0.0933
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0101 0.1 0.1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0017 0.0145 0.0145
Schistosoma mansoni transient receptor potential channel 4 0.0101 0.1 0.8029
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0101 0.1 0.1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0023 0.0205 0.0205
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0101 0.1 0.1
Brugia malayi Ryanodine Receptor TM 4-6 family protein 0.0101 0.1 0.2575
Echinococcus multilocularis voltage gated hydrogen channel 1 0.0101 0.1 0.1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0216 0.2167 1
Echinococcus granulosus voltage gated potassium channel 0.0101 0.1 0.1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0101 0.1 1
Brugia malayi SRC-1 0.0023 0.0205 0.0493
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0014 0.0114 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0292 0.0868
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0986 1 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0101 0.1 0.1
Echinococcus granulosus calcium activated potassium channel 0.0102 0.1004 0.1004
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0101 0.1 0.2575
Echinococcus granulosus potassium large conductance calcium activated 0.0101 0.1 0.1
Schistosoma mansoni 60S ribosomal protein L21 0.0101 0.1 0.8029
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0373 0.1262
Schistosoma mansoni cytochrome P450 0.0014 0.0114 0.0913
Loa Loa (eye worm) hypothetical protein 0.0017 0.0145 0.0337
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.004 0.0373 0.1262
Echinococcus granulosus sodium leak channel non selective protein 0.0101 0.1 0.1
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0101 0.1 0.8029
Echinococcus granulosus protein kinase C gamma type 0.0017 0.0145 0.0145
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0101 0.1 0.1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0101 0.1 0.1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.002 0.0175 0.0175
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Brugia malayi ion channel NompC 0.0101 0.1 0.2575
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.004 0.0373 0.1262
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0017 0.0145 0.0145
Loa Loa (eye worm) AGC/PKN protein kinase 0.0017 0.0145 0.0337
Echinococcus granulosus ryanodine receptor 44f 0.0101 0.1 0.1
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0101 0.1 0.1
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0017 0.0145 0.0145
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0014 0.0114 0.5
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0101 0.1 0.1
Echinococcus multilocularis two pore calcium channel protein 2 0.0101 0.1 0.1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.004 0.0373 0.0933
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0101 0.1 0.1
Leishmania major carnitine/choline acetyltransferase, putative 0.004 0.0373 0.1262
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0101 0.1 0.2575
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0145 0.1163
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0101 0.1 0.1
Schistosoma mansoni growth factor receptor-bound protein 0.0005 0.0016 0.0131
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0101 0.1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0014 0.0114 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0101 0.1 0.1
Echinococcus multilocularis protein kinase c iota type 0.0017 0.0145 0.0145
Mycobacterium leprae putative cytochrome p450 0.0014 0.0114 0.5
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0017 0.0145 0.0337
Schistosoma mansoni tyrosine kinase 0.0005 0.0023 0.0184
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0101 0.1 0.8029
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.004 0.0373 0.0373
Schistosoma mansoni atypical protein kinase C 0.0017 0.0145 0.1163
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0014 0.0114 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0292 0.0721
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Brugia malayi Protein kinase domain containing protein 0.0017 0.0145 0.0337
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0101 0.1 1
Loa Loa (eye worm) hypothetical protein 0.038 0.3838 1
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Echinococcus multilocularis voltage gated potassium channel 0.0101 0.1 0.1
Loa Loa (eye worm) TK protein kinase 0.0019 0.0158 0.0372
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0101 0.1 0.8029
Echinococcus granulosus voltage gated hydrogen channel 1 0.0101 0.1 0.1
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0101 0.1 0.8029
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0145 0.0044
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0101 0.1 0.1
Schistosoma mansoni hypothetical protein 0.0125 0.1246 1
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0101 0.1 0.1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.038 0.3838 1
Schistosoma mansoni hypothetical protein 0.0101 0.1 0.8029
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0005 0.0023 0.0184
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0101 0.1 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0101 0.1 0.1
Echinococcus granulosus serine:threonine protein kinase N2 0.0017 0.0145 0.0145
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0101 0.1 0.8029
Echinococcus granulosus potassium voltage gated channel protein 0.0101 0.1 0.1
Echinococcus multilocularis serine:threonine protein kinase 38 0.0017 0.0145 0.0145
Schistosoma mansoni voltage-gated cation channel 0.0101 0.1 0.8029
Echinococcus granulosus hyperpolarization activated cyclic 0.0101 0.1 0.1
Mycobacterium leprae Conserved hypothetical protein 0.0014 0.0114 0.5
Schistosoma mansoni transient receptor potential channel 0.0101 0.1 0.8029
Echinococcus granulosus two pore calcium channel protein 1 0.0101 0.1 0.1
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0145 0.1163
Echinococcus granulosus short transient receptor potential channel 6 0.0101 0.1 0.1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0118 0.1172 0.3024
Echinococcus granulosus two pore calcium channel protein 2 0.0101 0.1 0.1
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0101 0.1 0.2575
Echinococcus granulosus c src tyrosine kinase 0.0005 0.0023 0.0023
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0101 0.1 0.1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0101 0.1 0.2575
Echinococcus granulosus shaker cognate 0.0101 0.1 0.1
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0014 0.0114 0.5
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0101 0.1 0.8029
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0014 0.0114 0.5
Brugia malayi Protein kinase domain containing protein 0.0017 0.0145 0.0337
Loa Loa (eye worm) hypothetical protein 0.0125 0.1246 0.3217
Brugia malayi Voltage-gated calcium channel, alpha subunit 0.0101 0.1 0.2575
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Echinococcus granulosus tyrosine protein kinase Lyn 0.0023 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Echinococcus multilocularis growth factor receptor bound protein 2 0.0005 0.0016 0.0016
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0373 0.1262
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Trypanosoma brucei carnitine O-palmitoyltransferase II, putative 0.004 0.0373 0.2921
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0005 0.0023 0.0023
Schistosoma mansoni calcium-activated potassium channel 0.0101 0.1 0.8029
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0145 0.0044
Trypanosoma brucei carnitine O-acetyltransferase, putative 0.004 0.0373 0.2921
Brugia malayi p70 ribosomal S6 kinase beta 0.0017 0.0145 0.0337
Schistosoma mansoni voltage-gated ion channel 0.0101 0.1 0.8029
Echinococcus multilocularis potassium large conductance calcium activated 0.0101 0.1 0.1
Trypanosoma cruzi carnitine/choline acetyltransferase, putative 0.004 0.0373 0.1262
Echinococcus multilocularis sodium channel protein 0.0101 0.1 0.1
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0101 0.1 0.1
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Echinococcus multilocularis conserved hypothetical protein 0.0101 0.1 0.1
Leishmania major hypothetical protein, unknown function 0.0101 0.1 0.4319
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0017 0.0145 0.0337
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0101 0.1 0.8029
Echinococcus granulosus transient receptor potential gamma protein 0.0101 0.1 0.1
Echinococcus granulosus transient receptor potential cation channel 0.0101 0.1 0.1
Loa Loa (eye worm) calcium channel 0.0101 0.1 0.2575
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0145 0.0044
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0101 0.1 0.1
Onchocerca volvulus 0.0101 0.1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0148 0.0345
Brugia malayi cation channel family protein 0.0101 0.1 0.2575
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0023 0.0205 0.0205
Leishmania major calcium channel protein, putative,ion transporter, putative 0.0101 0.1 0.4319
Brugia malayi Cytochrome P450 family protein 0.0032 0.0292 0.0721
Schistosoma mansoni choline o-acyltransferase 0.004 0.0373 0.2992
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Echinococcus granulosus Protein kinase C brain isozyme 0.0017 0.0145 0.0145
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0101 0.1 0.8029
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0216 0.2167 1
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Schistosoma mansoni serine/threonine kinase 0.0017 0.0145 0.1163
Leishmania major hypothetical protein, conserved 0.0101 0.1 0.4319
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0014 0.0114 0.5
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.004 0.0373 0.0933
Loa Loa (eye worm) ion channel NompC 0.0101 0.1 0.2575
Brugia malayi olfactory channel protein osm-9 0.0101 0.1 0.2575
Brugia malayi Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog 0.0101 0.1 0.2575
Echinococcus granulosus cytochrome P450 2K1 0.0014 0.0114 0.0114
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0101 0.1 0.1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0023 0.0205 0.0205
Brugia malayi Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog 0.0101 0.1 0.2575
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Brugia malayi Tyrosine-protein kinase abl-1 0.0005 0.0023 0.0017
Entamoeba histolytica protein kinase, putative 0.0019 0.0158 1
Trypanosoma cruzi carnitine O-palmitoyltransferase II, putative 0.004 0.0373 0.1262
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0145 0.0044
Echinococcus multilocularis hyperpolarization activated cyclic 0.0101 0.1 0.1
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0373 0.1262
Echinococcus granulosus transient receptor potential cation channel 0.0101 0.1 0.1
Echinococcus granulosus TRP transient receptor potential channel 0.0101 0.1 0.1
Giardia lamblia Kinase, AGC AKT 0.0101 0.1001 0.5
Toxoplasma gondii transporter, cation channel family protein 0.0101 0.1 1
Brugia malayi Cytochrome P450 family protein 0.0014 0.0114 0.0255
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0014 0.0114 0.5
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0101 0.1 0.8029
Echinococcus granulosus potassium voltage gated channel protein 0.0101 0.1 0.1
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0125 0.1246 0.3217
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0145 0.0044
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0017 0.0145 0.0337
Echinococcus granulosus potassium voltage gated channel protein 0.0101 0.1 0.1
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0101 0.1 0.1
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0101 0.1 0.4319
Echinococcus granulosus choline O acetyltransferase 0.004 0.0373 0.0373
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0373 0.2921
Leishmania major rac serine-threonine kinase, putative,protein kinase, putative 0.0101 0.1001 0.4321
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0101 0.1 0.1
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0014 0.0114 0.5
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0014 0.0114 0.5
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0216 0.2167 0.2167
Echinococcus multilocularis two pore calcium channel protein 1 0.0101 0.1 0.1
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0145 0.0044
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Schistosoma mansoni inositol 145-trisphosphate receptor 0.0101 0.1 0.8029
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0145 0.0044
Schistosoma mansoni transient receptor potential channel 0.0101 0.1 0.8029
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Echinococcus multilocularis voltage dependent calcium channel 0.0101 0.1 0.1
Echinococcus multilocularis 0.0014 0.0114 0.0114
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0125 0.1246 0.1246
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0101 0.1 0.1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Echinococcus multilocularis NCK adaptor protein 0.0005 0.0016 0.0016
Echinococcus multilocularis transient receptor potential cation channel 0.0101 0.1 0.1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0014 0.0114 0.5
Trypanosoma brucei carnitine O-palmitoyltransferase, putative 0.004 0.0373 0.2921
Brugia malayi Cytochrome P450 family protein 0.0014 0.0114 0.0255
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Loa Loa (eye worm) ryanodine receptor 0.0101 0.1 0.2575
Echinococcus multilocularis tyrosine protein kinase HCK 0.0019 0.0158 0.0158
Loa Loa (eye worm) apoptosis regulator protein 0.0125 0.1246 0.3217
Echinococcus granulosus voltage dependent calcium channel 0.0101 0.1 0.1
Echinococcus multilocularis transient receptor potential cation channel 0.0101 0.1 0.1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0005 0.0023 0.0023
Echinococcus multilocularis transient receptor potential gamma protein 0.0101 0.1 0.1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0101 0.1 0.8029
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.004 0.0373 0.0933
Echinococcus granulosus transient receptor potential cation channel 0.0101 0.1 0.1
Loa Loa (eye worm) CYP4Cod1 0.0032 0.0292 0.0721
Echinococcus granulosus potassium voltage gated channel protein 0.0101 0.1 0.1
Echinococcus multilocularis potassium voltage gated channel protein 0.0101 0.1 0.1
Schistosoma mansoni tyrosine kinase 0.0023 0.0205 0.1643
Schistosoma mansoni two-pore calcium channel 0.0101 0.1 0.8029
Brugia malayi protein-tyrosine kinase 0.0021 0.0182 0.0433
Echinococcus multilocularis calcium activated potassium channel 0.0102 0.1004 0.1004
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Echinococcus multilocularis potassium voltage gated channel protein 0.0101 0.1 0.1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0101 0.1 0.8029
Echinococcus multilocularis ryanodine receptor 44f 0.0101 0.1 0.1
Schistosoma mansoni transient receptor potential cation channel subfamily m member 0.0101 0.1 0.8029
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0216 0.2167 1
Echinococcus multilocularis potassium voltage gated channel protein 0.0101 0.1 0.1
Echinococcus multilocularis choline O acetyltransferase 0.004 0.0373 0.0373
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0101 0.1 0.1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0023 0.0205 0.0205
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.0101 0.1 0.1
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0014 0.0114 0.5
Brugia malayi voltage-dependent calcium channel 0.0101 0.1 0.2575
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.004 0.0373 0.0933
Brugia malayi cytochrome P450 0.0014 0.0114 0.0255
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0373 0.1262
Loa Loa (eye worm) cytochrome P450 family protein 0.0032 0.0292 0.0721
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0101 0.1 0.2575
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0101 0.1 1
Echinococcus granulosus voltage gated potassium channel 0.0101 0.1 0.1
Toxoplasma gondii transporter, cation channel family protein 0.0101 0.1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0125 0.1246 0.1246
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0023 0.0205 0.0205
Echinococcus granulosus potassium voltage gated channel subfamily C 0.0101 0.1 0.1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0101 0.1 0.1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0101 0.1 0.1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0023 0.0205 0.0205
Echinococcus multilocularis serine threonine protein kinase 0.0017 0.0145 0.0145
Toxoplasma gondii AGC kinase 0.0017 0.0145 0.0351
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0101 0.1 0.1
Trypanosoma cruzi carnitine O-acetyltransferase, putative 0.004 0.0373 0.1262
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0014 0.0114 0.5
Echinococcus granulosus potassium voltage gated channel protein 0.0101 0.1 0.1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0118 0.1172 0.1172
Schistosoma mansoni voltage-dependent calcium channel 0.0101 0.1 0.8029
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Schistosoma mansoni tyrosine kinase 0.0023 0.0205 0.1643
Echinococcus granulosus tyrosine protein kinase Src42A 0.0023 0.0205 0.0205
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0014 0.0114 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0014 0.0114 0.5
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0014 0.0114 0.5
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Schistosoma mansoni ryanodine receptor related 0.0101 0.1 0.8029
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0145 0.0044
Echinococcus granulosus tyrosine protein kinase Src42A 0.002 0.0175 0.0175
Loa Loa (eye worm) hypothetical protein 0.0101 0.1 0.2575
Echinococcus multilocularis shaker cognate 0.0101 0.1 0.1
Toxoplasma gondii hypothetical protein 0.0101 0.1 1
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Loa Loa (eye worm) voltage-gated calcium channel 0.0101 0.1 0.2575
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0023 0.0205 0.0205
Echinococcus multilocularis transient receptor potential cation channel 0.0101 0.1 0.1
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0145 0.1163
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0101 0.1 0.1
Echinococcus granulosus sodium channel protein 0.0101 0.1 0.1
Loa Loa (eye worm) hypothetical protein 0.004 0.0373 0.0933
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0014 0.0114 0.5
Echinococcus granulosus transient receptor potential cation channel 0.0101 0.1 0.1
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0101 0.1 0.2575
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0145 0.1163
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Schistosoma mansoni serine/threonine protein kinase 0.0017 0.0145 0.1163
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0101 0.1 0.8029
Loa Loa (eye worm) voltage-gated potassium channel 0.0101 0.1 0.2575
Echinococcus multilocularis transient receptor potential cation channel 0.0101 0.1 0.1
Echinococcus multilocularis voltage dependent calcium channel 0.0101 0.1 0.1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0005 0.0023 0.0023
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0101 0.1 0.2575
Echinococcus multilocularis short transient receptor potential channel 6 0.0101 0.1 0.1
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog 0.0101 0.1 0.2575
Schistosoma mansoni hypothetical protein 0.0125 0.1246 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0017 0.0145 0.0337
Echinococcus granulosus tyrosine protein kinase Fyn 0.0023 0.0205 0.0205
Brugia malayi Choline O-acetyltransferase 0.004 0.0373 0.0933
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Leishmania major cytochrome p450-like protein 0.0032 0.0292 0.0868
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0101 0.1 0.1
Echinococcus granulosus growth factor receptor bound protein 2 0.0005 0.0016 0.0016
Schistosoma mansoni vesicular amine transporter 0.0101 0.1 0.8029
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0023 0.0205 0.0205
Toxoplasma gondii hypothetical protein 0.0101 0.1 1
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0101 0.1 0.2575
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0101 0.1 0.2575
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0017 0.0145 0.0145
Echinococcus multilocularis serine:threonine protein kinase N2 0.0017 0.0145 0.0145
Trypanosoma cruzi cytochrome P450, putative 0.0032 0.0292 0.0868
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0101 0.1 0.1
Schistosoma mansoni hypothetical protein 0.0014 0.0114 0.0913
Brugia malayi cation channel family protein 0.0101 0.1 0.2575
Schistosoma mansoni tyrosine kinase 0.0005 0.0023 0.0184
Trichomonas vaginalis AGC family protein kinase 0.0017 0.0145 0.0044
Brugia malayi Cyclic-nucleotide gated cation channel 0.0101 0.1 0.2575
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0023 0.0205 0.0205
Echinococcus multilocularis sodium leak channel non selective protein 0.0101 0.1 0.1
Echinococcus granulosus protein kinase c iota type 0.0017 0.0145 0.0145
Echinococcus multilocularis protein kinase c epsilon type 0.0017 0.0145 0.0145
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0101 0.1 0.2575
Echinococcus granulosus protein kinase c epsilon type 0.0017 0.0145 0.0145
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0032 0.0292 1
Echinococcus granulosus voltage dependent calcium channel 0.0101 0.1 0.1
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0101 0.1 0.1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0023 0.0205 0.0205
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0118 0.1172 0.1172
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0021 0.0182 0.0182
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0014 0.0114 0.5
Schistosoma mansoni voltage-gated potassium channel 0.0101 0.1 0.8029
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0216 0.2167 0.2167
Echinococcus multilocularis transfer RNA-Gly 0.0101 0.1 0.1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0023 0.0205 0.0205
Trypanosoma brucei rac serine-threonine kinase, putative 0.0017 0.0145 0.0351
Echinococcus multilocularis potassium voltage gated channel protein 0.0101 0.1 0.1
Schistosoma mansoni growth factor receptor-bound protein 0.0005 0.0016 0.0131
Brugia malayi Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit 0.0101 0.1 0.2575
Echinococcus granulosus tyrosine protein kinase Blk 0.0021 0.0182 0.0182
Echinococcus granulosus NDR protein kinase 0.0017 0.0145 0.0145
Loa Loa (eye worm) cytochrome P450 0.0014 0.0114 0.0255
Echinococcus multilocularis tyrosine protein kinase Srms 0.0021 0.0182 0.0182
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0021 0.0182 0.0182
Schistosoma mansoni hypothetical protein 0.0125 0.1246 1
Brugia malayi Protein kinase domain containing protein 0.0017 0.0145 0.0337
Loa Loa (eye worm) AGC/AKT protein kinase 0.0017 0.0145 0.0337
Echinococcus granulosus hypothetical protein 0.0101 0.1 0.1
Echinococcus multilocularis short transient receptor potential channel 6 0.0101 0.1 0.1
Echinococcus multilocularis transient receptor potential cation channel 0.0101 0.1 0.1
Onchocerca volvulus Transient receptor potential cation channel trpm homolog 0.0101 0.1 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0101 0.1 0.1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0101 0.1 1
Brugia malayi Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog 0.0101 0.1 0.2575
Echinococcus granulosus tyrosine kinase 0.0021 0.0182 0.0182
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0101 0.1 0.8029
Schistosoma mansoni choline o-acyltransferase 0.004 0.0373 0.2992

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -5.778 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.736 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.71 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.704 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.638 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.635 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.462 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.434 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (binding) = 5.85 uM Inhibition of RSK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay ChEMBL. 21794960
IC50 (binding) = 90 uM Inhibition of CHK2 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay ChEMBL. 21794960
IC50 (binding) > 100 uM Inhibition of CHK1 assessed as inhibition of substrate phosphorylation using fluorescent peptide substrate by microplate reader assay ChEMBL. 21794960

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

1 literature reference was collected for this gene.

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