Detailed information for compound 1846508

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 707.606 | Formula: C27H44Cl2N10O8
  • H donors: 4 H acceptors: 8 LogP: 0.88 Rotable bonds: 25
    Rule of 5 violations (Lipinski): 2
  • SMILES: ClCCN(C(=O)NCCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)C(C)C)NC(=O)[C@@H]1CCCN1C(=O)N(CCCl)N=O)N=O
  • InChi: 1S/C27H44Cl2N10O8/c1-17(2)21(22(30)40)33-24(42)19-8-5-13-36(19)25(43)18(7-3-4-12-31-26(44)38(34-46)15-10-28)32-23(41)20-9-6-14-37(20)27(45)39(35-47)16-11-29/h17-21H,3-16H2,1-2H3,(H2,30,40)(H,31,44)(H,32,41)(H,33,42)/t18-,19-,20-,21-/m0/s1
  • InChiKey: CMMBKQPJAONVII-TUFLPTIASA-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
Brugia malayi Protein kinase domain containing protein 0.047 0.0286 0.0281
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0807 0.0963 0.0969
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.047 0.0286 0.0281
Schistosoma mansoni serine/threonine protein kinase 0.0417 0.018 0.017
Toxoplasma gondii histone deacetylase HDAC2 0.2315 0.399 1
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0817 0.0983 0.0989
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.047 0.0286 0.0281
Echinococcus multilocularis serine threonine protein kinase 0.1463 0.2281 0.2308
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.093 0.121 0.3033
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0535 0.0418 0.0415
Brugia malayi histone deacetylase 3 (HD3) 0.2315 0.399 0.4044
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.047 0.0286 0.0281
Echinococcus multilocularis histone deacetylase 1 0.2315 0.399 0.4044
Onchocerca volvulus 0.0363 0.0071 0.0101
Brugia malayi Histone deacetylase 1 0.2315 0.399 0.4044
Leishmania major histone deacetylase, putative 0.1206 0.1763 0.2643
Loa Loa (eye worm) histone deacetylase 0.1206 0.1763 0.1782
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0538 0.0423 0.1061
Loa Loa (eye worm) hypothetical protein 0.337 0.6109 0.6197
Loa Loa (eye worm) hypothetical protein 0.0906 0.1162 0.117
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0679 0.0706 0.1749
Brugia malayi p70 ribosomal S6 kinase beta 0.047 0.0286 0.0281
Schistosoma mansoni voltage-gated cation channel 0.0781 0.091 0.0901
Loa Loa (eye worm) phosphatidylinositol 3 0.0807 0.0963 0.0969
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.093 0.121 0.122
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0338 0.0022 0.0012
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.093 0.121 0.1201
Trypanosoma cruzi histone deacetylase, putative 0.1206 0.1763 0.4224
Loa Loa (eye worm) hypothetical protein 0.0906 0.1162 0.117
Schistosoma mansoni serine/threonine protein kinase 0.047 0.0286 0.0276
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.093 0.121 0.122
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0338 0.0022 0.0012
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0771 0.0891 0.196
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.047 0.0286 0.0281
Trypanosoma cruzi histone deacetylase, putative 0.1206 0.1763 0.4224
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0781 0.091 0.0915
Brugia malayi hypothetical protein 0.0906 0.1162 0.117
Plasmodium falciparum histone deacetylase 1 0.2315 0.399 1
Brugia malayi C1-like domain containing protein 0.0342 0.003 0.0021
Trichomonas vaginalis histone deacetylase, putative 0.2315 0.399 1
Echinococcus granulosus histone deacetylase 6 0.1297 0.1947 0.1968
Brugia malayi hypothetical protein 0.0906 0.1162 0.117
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0906 0.1162 0.117
Brugia malayi Protein kinase domain containing protein 0.047 0.0286 0.0281
Loa Loa (eye worm) hypothetical protein 0.5224 0.983 0.9979
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0342 0.003 0.0021
Onchocerca volvulus 0.158 0.2515 0.4108
Plasmodium vivax histone deacetylase 1, putative 0.2315 0.399 1
Loa Loa (eye worm) hypothetical protein 0.337 0.6109 0.6197
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0342 0.003 0.0021
Brugia malayi Histone deacetylase family protein 0.1206 0.1763 0.1782
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0807 0.0963 0.2149
Echinococcus granulosus histone deacetylase 6 0.1206 0.1763 0.1782
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.047 0.0286 0.0281
Trichomonas vaginalis AGC family protein kinase 0.047 0.0286 0.0392
Echinococcus multilocularis histone deacetylase 6 0.1297 0.1947 0.1968
Echinococcus multilocularis voltage dependent calcium channel 0.0781 0.091 0.0915
Trichomonas vaginalis AGC family protein kinase 0.047 0.0286 0.0392
Loa Loa (eye worm) calcium channel 0.0781 0.091 0.0915
Schistosoma mansoni histone deacetylase hda2 0.0788 0.0926 0.0917
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0781 0.091 0.0915
Onchocerca volvulus 0.0674 0.0697 0.1126
Onchocerca volvulus 0.158 0.2515 0.4108
Schistosoma mansoni histone deacetylase 0.2315 0.399 0.3984
Entamoeba histolytica protein kinase, putative 0.047 0.0286 0.0694
Echinococcus granulosus serine:threonine protein kinase N2 0.047 0.0286 0.0281
Trichomonas vaginalis AGC family protein kinase 0.047 0.0286 0.0392
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.047 0.0286 0.0281
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0536 0.0419 0.1027
Toxoplasma gondii histone deacetylase HDAC1 0.1206 0.1763 0.4406
Loa Loa (eye worm) hypothetical protein 0.2315 0.399 0.4044
Schistosoma mansoni protein kinase C mu 0.0342 0.003 0.002
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.063 0.0608 0.1226
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0906 0.1162 0.117
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.158 0.2515 0.2546
Echinococcus granulosus histone deacetylase 0.1206 0.1763 0.1782
Brugia malayi histone deacetylase 11 0.0788 0.0926 0.0931
Echinococcus multilocularis Protein kinase C, brain isozyme 0.1795 0.2947 0.2985
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0535 0.0418 0.0415
Echinococcus granulosus protein kinase C gamma type 0.1463 0.2281 0.2308
Loa Loa (eye worm) hypothetical protein 0.384 0.7051 0.7156
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0566 0.048 0.0477
Loa Loa (eye worm) AGC/AKT protein kinase 0.047 0.0286 0.0281
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0394 0.0135 0.0314
Loa Loa (eye worm) hypothetical protein 0.0674 0.0697 0.0698
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0817 0.0983 0.0989
Schistosoma mansoni serine/threonine protein kinase 0.1795 0.2947 0.294
Schistosoma mansoni histone deacetylase 0.2315 0.399 0.3984
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0338 0.0022 0.0012
Loa Loa (eye worm) hypothetical protein 0.0674 0.0697 0.0698
Plasmodium falciparum histone deacetylase 2 0.1206 0.1763 0.2643
Entamoeba histolytica protein kinase, putative 0.047 0.0286 0.0694
Echinococcus granulosus unc 13 munc13 0.0363 0.0071 0.0063
Loa Loa (eye worm) hypothetical protein 0.0417 0.0181 0.0173
Trichomonas vaginalis histone deacetylase, putative 0.2315 0.399 1
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0906 0.1162 0.117
Onchocerca volvulus 0.158 0.2515 0.4108
Onchocerca volvulus 0.158 0.2515 0.4108
Toxoplasma gondii histone deacetylase HDAC5 0.0788 0.0926 0.2302
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0338 0.0022 0.0012
Trichomonas vaginalis AGC family protein kinase 0.047 0.0286 0.0392
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0771 0.0891 0.196
Loa Loa (eye worm) histone deacetylase 7A 0.1206 0.1763 0.1782
Trypanosoma brucei histone deacetylase 1 0.2315 0.399 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1052 0.1455 0.1468
Schistosoma mansoni unc-13 (munc13) 0.0363 0.0071 0.0062
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.047 0.0286 0.0281
Giardia lamblia Histone deacetylase 0.2315 0.399 1
Loa Loa (eye worm) hypothetical protein 0.337 0.6109 0.6197
Loa Loa (eye worm) histone deacetylase 3 0.2315 0.399 0.4044
Echinococcus granulosus RNA directed DNA polymerase 0.0963 0.1276 0.1287
Loa Loa (eye worm) hypothetical protein 0.0535 0.0418 0.0415
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0781 0.091 0.0915
Schistosoma mansoni serine/threonine protein kinase 0.047 0.0286 0.0276
Trypanosoma cruzi histone deacetylase 1, putative 0.2315 0.399 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0338 0.0022 0.0012
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0342 0.003 0.0021
Trichomonas vaginalis AGC family protein kinase 0.047 0.0286 0.0392
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.047 0.0286 0.0281
Loa Loa (eye worm) hypothetical protein 0.5224 0.983 0.9979
Loa Loa (eye worm) hypothetical protein 0.0509 0.0364 0.036
Echinococcus granulosus protein kinase c iota type 0.0802 0.0953 0.0958
Trypanosoma cruzi histone deacetylase 1, putative 0.2315 0.399 1
Trypanosoma cruzi histone deacetylase, putative 0.0788 0.0926 0.2052
Echinococcus multilocularis histone deacetylase 6 0.1206 0.1763 0.1782
Trichomonas vaginalis AGC family protein kinase 0.047 0.0286 0.0392
Loa Loa (eye worm) histone deacetylase 1 0.2315 0.399 0.4044
Entamoeba histolytica histone deacetylase, putative 0.2315 0.399 1
Echinococcus granulosus histone deacetylase 7 0.1206 0.1763 0.1782
Brugia malayi histone deacetylase 1 (HD1) 0.2315 0.399 0.4044
Onchocerca volvulus 0.158 0.2515 0.4108
Loa Loa (eye worm) TKL/MLK/LZK protein kinase 0.5234 0.985 1
Echinococcus multilocularis histone deacetylase 7 0.1206 0.1763 0.1782
Echinococcus multilocularis histone deacetylase 0.1206 0.1763 0.1782
Leishmania major histone deacetylase, putative 0.1206 0.1763 0.2643
Trypanosoma brucei histone deacetylase 4 0.1206 0.1763 0.4224
Loa Loa (eye worm) hypothetical protein 0.0363 0.0071 0.0063
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.093 0.121 0.122
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0781 0.091 0.0901
Echinococcus multilocularis protein kinase c iota type 0.0802 0.0953 0.0958
Onchocerca volvulus 0.0338 0.0022 0.0019
Plasmodium vivax histone deacetylase, putative 0.1206 0.1763 0.2733
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2315 0.399 1
Brugia malayi LBP/BPI 0.0674 0.0697 0.0698
Schistosoma mansoni serine/threonine protein kinase 0.0832 0.1014 0.1005
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.093 0.121 0.122
Echinococcus granulosus voltage dependent calcium channel 0.0781 0.091 0.0915
Loa Loa (eye worm) phosphatidylinositol 3 0.096 0.127 0.1281
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.046 0.0266 0.0339
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0443 0.0233 0.0562
Loa Loa (eye worm) hypothetical protein 0.3702 0.6775 0.6875
Schistosoma mansoni histone deacetylase hda2 0.1297 0.1947 0.1939
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0807 0.0963 0.0954
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0342 0.003 0.0021
Brugia malayi protein kinase C II. 0.0832 0.1014 0.1021
Schistosoma mansoni unc-13 (munc13) 0.0363 0.0071 0.0062
Loa Loa (eye worm) hypothetical protein 0.158 0.2515 0.2546
Onchocerca volvulus 0.158 0.2515 0.4108
Toxoplasma gondii AGC kinase 0.047 0.0286 0.0694
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.047 0.0286 0.0281
Schistosoma mansoni histone deacetylase 4 5 0.1206 0.1763 0.1755
Trichomonas vaginalis histone deacetylase, putative 0.2315 0.399 1
Echinococcus multilocularis histone deacetylase 3 0.2315 0.399 0.4044
Echinococcus multilocularis unc 13 (munc13) 0.0363 0.0071 0.0063
Schistosoma mansoni serine/threonine protein kinase 0.047 0.0286 0.0276
Trichomonas vaginalis histone deacetylase, putative 0.2315 0.399 1
Plasmodium falciparum histone deacetylase, putative 0.1206 0.1763 0.2643
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0781 0.091 0.0901
Toxoplasma gondii phosphatidylinositol 4-kinase 0.0572 0.0491 0.1209
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1052 0.1455 0.1468
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0807 0.0963 0.0122
Loa Loa (eye worm) hypothetical protein 0.0906 0.1162 0.117
Trypanosoma brucei histone deacetylase, putative 0.1206 0.1763 0.4224
Trypanosoma brucei histone deacetylase 3 0.1206 0.1763 0.4224
Trichomonas vaginalis AGC family protein kinase 0.047 0.0286 0.0392
Trichomonas vaginalis AGC family protein kinase 0.047 0.0286 0.0392
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1052 0.1455 0.1447
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0807 0.0963 0.0969
Echinococcus multilocularis 0.0807 0.0963 0.0969
Trichomonas vaginalis AGC family protein kinase 0.047 0.0286 0.0392
Schistosoma mansoni serine/threonine protein kinase 0.0342 0.003 0.002
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0977 0.1305 0.3254
Loa Loa (eye worm) hypothetical protein 0.0674 0.0697 0.0698
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0807 0.0963 0.2149
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.063 0.0608 0.1226
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.158 0.2515 0.2546
Brugia malayi LBP / BPI / CETP family, C-terminal domain containing protein 0.0906 0.1162 0.117
Echinococcus granulosus histone deacetylase 3 0.2315 0.399 0.4044
Echinococcus granulosus histone deacetylase 8 0.0788 0.0926 0.0931
Schistosoma mansoni histone deacetylase 4 5 0.1206 0.1763 0.1755
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.158 0.2515 0.2546
Loa Loa (eye worm) AGC/NDR protein kinase 0.047 0.0286 0.0281
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0338 0.0022 0.0012
Trichomonas vaginalis histone deacetylase, putative 0.2315 0.399 1
Loa Loa (eye worm) hypothetical protein 0.0674 0.0697 0.0698
Entamoeba histolytica protein kinase, putative 0.047 0.0286 0.0694
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0363 0.0071 0.0063
Echinococcus multilocularis histone deacetylase 6 0.1206 0.1763 0.1782
Loa Loa (eye worm) histone deacetylase 11 0.0788 0.0926 0.0931
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0781 0.091 0.0915
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0342 0.003 0.0021
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0425 0.0197 0.0187
Schistosoma mansoni serine/threonine protein kinase 0.0342 0.003 0.002
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0817 0.0983 0.0989
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0807 0.0963 0.2149
Echinococcus multilocularis serine:threonine protein kinase 38 0.047 0.0286 0.0281
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0771 0.0891 0.196
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0963 0.1276 0.1287
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0771 0.0891 0.196
Brugia malayi LBP / BPI / CETP family, N-terminal domain containing protein 0.158 0.2515 0.2546
Loa Loa (eye worm) LBP/BPI/CETP family domain-containing protein 0.0906 0.1162 0.117
Schistosoma mansoni histone deacetylase 1 2 3 0.0788 0.0926 0.0917
Trichomonas vaginalis AGC family protein kinase 0.047 0.0286 0.0392
Onchocerca volvulus 0.158 0.2515 0.4108
Brugia malayi Protein kinase domain containing protein 0.047 0.0286 0.0281
Trichomonas vaginalis histone deacetylase, putative 0.2315 0.399 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0338 0.0022 0.0012
Brugia malayi hypothetical protein 0.0674 0.0697 0.0698
Toxoplasma gondii histone deacetylase HDAC3 0.2315 0.399 1
Echinococcus granulosus protein kinase c epsilon type 0.0832 0.1014 0.1021
Brugia malayi Protein kinase c protein 2 0.1336 0.2025 0.2047
Onchocerca volvulus 0.0906 0.1162 0.1888
Schistosoma mansoni serine/threonine protein kinase 0.1795 0.2947 0.294
Onchocerca volvulus Histone deacetylase 10 homolog 0.0788 0.0926 0.1502
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0874 0.1098 0.2735
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0781 0.091 0.0915
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0338 0.0022 0.0012
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0832 0.1014 0.1021
Trypanosoma brucei rac serine-threonine kinase, putative 0.047 0.0286 0.0392
Brugia malayi Histone deacetylase family protein 0.1206 0.1763 0.1782
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0363 0.0071 0.0063
Trypanosoma cruzi histone deacetylase, putative 0.1206 0.1763 0.4224
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.5234 0.985 1
Echinococcus granulosus histone deacetylase 1 0.2315 0.399 0.4044
Entamoeba histolytica protein kinase, putative 0.047 0.0286 0.0694
Loa Loa (eye worm) hypothetical protein 0.0338 0.0022 0.0012
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0771 0.0891 0.196
Loa Loa (eye worm) phosphatidylinositol kinase 0.0338 0.0022 0.0012
Echinococcus multilocularis serine:threonine protein kinase N2 0.047 0.0286 0.0281
Echinococcus granulosus Protein kinase C brain isozyme 0.1795 0.2947 0.2985
Loa Loa (eye worm) AGC/PKN protein kinase 0.047 0.0286 0.0281
Echinococcus multilocularis histone deacetylase 8 0.0788 0.0926 0.0931
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.1004 0.1358 0.137
Echinococcus granulosus histone deacetylase 6 0.1206 0.1763 0.1782
Schistosoma mansoni protein kinase C 0.0363 0.0071 0.0062
Entamoeba histolytica hypothetical protein 0.0679 0.0706 0.1749
Brugia malayi protein kinase C3,putative 0.0342 0.003 0.0021
Brugia malayi Protein kinase domain containing protein 0.0342 0.003 0.0021
Onchocerca volvulus 0.337 0.6109 1
Loa Loa (eye worm) hypothetical protein 0.0906 0.1162 0.117
Onchocerca volvulus 0.0906 0.1162 0.1888
Trypanosoma cruzi histone deacetylase, putative 0.0788 0.0926 0.2052
Loa Loa (eye worm) hypothetical protein 0.0788 0.0926 0.0931
Loa Loa (eye worm) hypothetical protein 0.0906 0.1162 0.117
Echinococcus multilocularis protein kinase c epsilon type 0.0832 0.1014 0.1021
Brugia malayi Hr1 repeat family protein 0.047 0.0286 0.0281
Trypanosoma brucei histone deacetylase 2 0.0788 0.0926 0.2052
Trichomonas vaginalis AGC family protein kinase 0.047 0.0286 0.0392
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0338 0.0022 0.0012
Echinococcus granulosus NDR protein kinase 0.047 0.0286 0.0281
Loa Loa (eye worm) hypothetical protein 0.0781 0.091 0.0915
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2315 0.399 1
Echinococcus multilocularis raf serine:threonine protein kinase 0.0417 0.018 0.0173
Echinococcus multilocularis RNA directed DNA polymerase 0.0963 0.1276 0.1287
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0394 0.0135 0.0314
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0394 0.0135 0.0127
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.2315 0.399 1
Onchocerca volvulus 0.0338 0.0022 0.0019
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0781 0.091 0.0915
Giardia lamblia Phosphatidylinositol 4-kinase 0.0807 0.0963 0.2415
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.047 0.0286 0.0281
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0781 0.091 0.0915
Toxoplasma gondii 1-phosphatidylinositol 4-kinase 0.0572 0.0491 0.1209
Plasmodium vivax histone deacetylase 2, putative 0.1206 0.1763 0.2733
Echinococcus multilocularis serine:threonine protein kinase N2 0.047 0.0286 0.0281
Leishmania major histone deacetylase, putative 0.2315 0.399 1
Leishmania major histone deacetylase, putative 0.2315 0.399 1
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0817 0.0983 0.0989
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0771 0.0891 0.0895
Toxoplasma gondii histone deacetylase HDAC4 0.0788 0.0926 0.2302
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0781 0.091 0.0915
Trichomonas vaginalis conserved hypothetical protein 0.0674 0.0697 0.1457
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0771 0.0891 0.2213
Loa Loa (eye worm) hypothetical protein 0.0963 0.1276 0.1287
Schistosoma mansoni atypical protein kinase C 0.0802 0.0953 0.0944
Loa Loa (eye worm) hypothetical protein 0.1295 0.1943 0.1964
Schistosoma mansoni serine/threonine kinase 0.047 0.0286 0.0276
Echinococcus granulosus raf serine:threonine protein kinase 0.0417 0.018 0.0173
Brugia malayi Protein kinase domain containing protein 0.5234 0.985 1
Echinococcus multilocularis voltage dependent calcium channel 0.0781 0.091 0.0915
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.5234 0.985 1
Loa Loa (eye worm) hypothetical protein 0.093 0.121 0.122
Onchocerca volvulus 0.158 0.2515 0.4108
Schistosoma mansoni serine/threonine protein kinase 0.047 0.0286 0.0276

Activities

Activity type Activity value Assay description Source Reference
ILS (functional) = 100 % Antitumor activity against L1210 Leukemia in mice at a dose of 30 mg/kg expressed as percent of increase in life span after day 60s was determined. ChEMBL. 3820230
ILS (functional) = 120 % Antitumor activity against L1210 Leukemia in mice at a dose of 200 mg/kg expressed as percent of increase in life span after day 60s was determined. ChEMBL. 3820230
LD50 (ADMET) = 220 mg kg-1 Antitumor activity against L1210 Leukemia in mice expressed as 50% lethal dose was determined at 200 mg/kg ChEMBL. 3820230
MED (functional) = 0.042 mM kg-1 Antitumor activity against L1210 Leukemia in mice at a dose of 30 mg/kg was determined. ChEMBL. 3820230
MED (functional) = 0.14 mM kg-1 Antitumor activity against L1210 Leukemia in mice at a dose of 100 mg/kg was determined. ChEMBL. 3820230
MED (functional) = 0.28 mM kg-1 Antitumor activity against L1210 Leukemia in mice at a dose of 200 mg/kg was determined. ChEMBL. 3820230

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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