Detailed information for compound 251409

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 245.706 | Formula: C10H16ClN3O2
  • H donors: 1 H acceptors: 1 LogP: 1.79 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O/N=C/c1[n+](COC2CCC2)ccn1C.[Cl-]
  • InChi: 1S/C10H15N3O2.ClH/c1-12-5-6-13(10(12)7-11-14)8-15-9-3-2-4-9;/h5-7,9H,2-4,8H2,1H3;1H
  • InChiKey: HTSVYJRDGIZMML-UHFFFAOYSA-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
Echinococcus multilocularis microtubule associated protein 2 0.069 0.2516 0.2516
Trichomonas vaginalis cyclins, putative 0.067 0.244 1
Echinococcus granulosus cyclin B3 1 0.0509 0.1834 0.1834
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0411 0.1465 0.1465
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0154 0.0631
Brugia malayi CXXC zinc finger family protein 0.0029 0.0022 0.0016
Echinococcus multilocularis cyclins 0.0509 0.1834 0.1834
Loa Loa (eye worm) hypothetical protein 0.0342 0.1205 0.1373
Trichomonas vaginalis cyclins, putative 0.067 0.244 1
Entamoeba histolytica protein kinase, putative 0.009 0.0253 0.1035
Schistosoma mansoni g1/s-specific cyclin C 0.0123 0.0377 0.0377
Brugia malayi C1-like domain containing protein 0.0207 0.0694 0.0788
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0066 0.0164 0.0164
Brugia malayi Cam kinase protein 1 0.0336 0.1183 0.1347
Schistosoma mansoni serine/threonine protein kinase 0.0336 0.1183 0.1183
Schistosoma mansoni hypothetical protein 0.0123 0.0377 0.0377
Echinococcus multilocularis cyclin dependent kinase 0.0245 0.0837 0.0837
Loa Loa (eye worm) hypothetical protein 0.0066 0.0164 0.018
Entamoeba histolytica cyclin, domain containing protein 0.0123 0.0377 0.1544
Loa Loa (eye worm) cyclin domain-containing protein 0.0123 0.0377 0.0423
Echinococcus multilocularis G1:S specific cyclin D1 0.0123 0.0377 0.0377
Echinococcus granulosus cyclins 0.0123 0.0377 0.0377
Echinococcus multilocularis cpg binding protein 0.003 0.0028 0.0028
Trichomonas vaginalis AGC family protein kinase 0.009 0.0253 0.1035
Giardia lamblia Kinase, CMGC CDK 0.0245 0.0837 0.2229
Echinococcus granulosus cyclin dependent kinase 0.0245 0.0837 0.0837
Trichomonas vaginalis AGC family protein kinase 0.0094 0.0268 0.1099
Leishmania major protein kinase A catalytic subunit isoform 1 0.043 0.1536 0.6294
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.043 0.1536 0.6294
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.043 0.1536 1
Brugia malayi protein kinase C3,putative 0.0168 0.0546 0.0618
Brugia malayi Cyclin, N-terminal domain containing protein 0.0123 0.0377 0.0423
Echinococcus multilocularis cyclin B3 1 0.0509 0.1834 0.1834
Echinococcus multilocularis cyclins 0.0509 0.1834 0.1834
Entamoeba histolytica PH domain containing protein kinase, putative 0.0434 0.1551 0.6357
Leishmania major protein kinase A catalytic subunit 0.043 0.1536 0.6294
Schistosoma mansoni cyclin B 0.067 0.244 0.244
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0245 0.0837 0.3429
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0123 0.0377 0.0377
Trichomonas vaginalis cyclin D, putative 0.0509 0.1834 0.7514
Loa Loa (eye worm) hypothetical protein 0.067 0.244 0.2789
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0207 0.0694 0.0788
Toxoplasma gondii AGC kinase 0.043 0.1536 1
Trypanosoma cruzi cdc2-related kinase 3 0.0245 0.0837 0.3429
Onchocerca volvulus 0.067 0.244 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0123 0.0377 0.0423
Echinococcus granulosus cdk5 and abl1 enzyme substrate 1 0.0123 0.0377 0.0377
Schistosoma mansoni cpg binding protein 0.003 0.0028 0.0028
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.009 0.0253 0.0281
Schistosoma mansoni cyclin k 0.0123 0.0377 0.0377
Entamoeba histolytica cyclin, domain containing protein 0.0123 0.0377 0.1544
Trypanosoma brucei cyclin dependent kinase-binding protein, putative 0.0123 0.0377 0.1544
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.0377 0.1544
Entamoeba histolytica cyclin family protein 0.0509 0.1834 0.7514
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.009 0.0253 0.0253
Entamoeba histolytica hypothetical protein 0.0123 0.0377 0.1544
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.043 0.1536 0.1752
Loa Loa (eye worm) cyclin domain-containing protein 0.0123 0.0377 0.0423
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.043 0.1536 0.6294
Schistosoma mansoni serine/threonine protein kinase 0.009 0.0253 0.0253
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.0377 0.1544
Echinococcus granulosus NDR protein kinase 0.009 0.0253 0.0253
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0066 0.0164 0.0164
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0336 0.1183 0.1347
Toxoplasma gondii cyclin dependent kinase binding protein 0.0123 0.0377 0.2453
Plasmodium falciparum calcium-dependent protein kinase 4 0.0336 0.1183 0.6449
Entamoeba histolytica hypothetical protein 0.0066 0.0164 0.0673
Echinococcus granulosus cyclins 0.0509 0.1834 0.1834
Schistosoma mansoni diacylglycerol kinase theta 0.0066 0.0164 0.0164
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.043 0.1536 0.6294
Trichomonas vaginalis cyclin B3, putative 0.0123 0.0377 0.1544
Schistosoma mansoni unc-13 (munc13) 0.0073 0.0188 0.0188
Leishmania major mitotic cyclin, putative 0.0123 0.0377 0.1544
Leishmania major cyclin 0.067 0.244 1
Trichomonas vaginalis AGC family protein kinase 0.0094 0.0268 0.1099
Loa Loa (eye worm) hypothetical protein 0.0192 0.0639 0.0724
Brugia malayi diacylglycerol kinase 0.0066 0.0164 0.018
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0336 0.1183 0.1183
Schistosoma mansoni cpg binding protein 0.0029 0.0022 0.0022
Echinococcus granulosus protein kinase c iota type 0.0239 0.0814 0.0814
Schistosoma mansoni serine/threonine protein kinase 0.0301 0.1047 0.1047
Brugia malayi protein kinase C II. 0.0301 0.1047 0.1192
Trichomonas vaginalis cyclins, putative 0.067 0.244 1
Trichomonas vaginalis AGC family protein kinase 0.0094 0.0268 0.1099
Brugia malayi Cyclin C 0.0123 0.0377 0.0423
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0154 0.0631
Leishmania major protein kinase, putative 0.0336 0.1183 0.4846
Echinococcus multilocularis protein kinase c eta type 0.0066 0.0164 0.0164
Toxoplasma gondii cyclin 4, putative 0.0123 0.0377 0.2453
Brugia malayi Variant SH3 domain containing protein 0.0066 0.0164 0.018
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0336 0.1183 0.77
Echinococcus multilocularis protein kinase c epsilon type 0.0301 0.1047 0.1047
Echinococcus granulosus unc 13 munc13 0.0073 0.0188 0.0188
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0301 0.1047 0.1192
Giardia lamblia Kinase, CMGC CDK 0.0245 0.0837 0.2229
Echinococcus multilocularis cyclin G2 0.0123 0.0377 0.0377
Plasmodium vivax cyclin 4, putative 0.0123 0.0377 0.2453
Trichomonas vaginalis cyclin B, putative 0.0123 0.0377 0.1544
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0245 0.0837 0.5448
Entamoeba histolytica protein kinase, putative 0.0025 0.0008 0.0034
Plasmodium vivax protein kinase Crk2 0.0245 0.0837 0.5448
Loa Loa (eye worm) hypothetical protein 0.0066 0.0164 0.018
Schistosoma mansoni protein kinase 0.2673 1 1
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.043 0.1536 0.8376
Schistosoma mansoni serine/threonine protein kinase 0.043 0.1536 0.1536
Onchocerca volvulus Protein CNPPD1 homolog 0.0123 0.0377 0.1518
Schistosoma mansoni protein kinase 0.2673 1 1
Brugia malayi Pleckstrin Homology Domain 0.0071 0.018 0.0197
Entamoeba histolytica protein kinase, putative 0.0094 0.0268 0.1099
Echinococcus granulosus cyclin y 0.0123 0.0377 0.0377
Toxoplasma gondii cyclin domain protein, cyclin H family protein 0.0123 0.0377 0.2453
Trichomonas vaginalis cyclin A, putative 0.067 0.244 1
Entamoeba histolytica cyclin, putative 0.067 0.244 1
Brugia malayi Ras association domain family 1 isoform A 0.0066 0.0164 0.018
Echinococcus granulosus G1:S specific cyclin D1 0.0123 0.0377 0.0377
Schistosoma mansoni rac gtpase activating protein 0.0066 0.0164 0.0164
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0869 0.3193 0.3193
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0245 0.0837 0.0837
Trichomonas vaginalis cyclin D, putative 0.0509 0.1834 0.7514
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.009 0.0253 0.0253
Leishmania major protein kinase A catalytic subunit isoform 2 0.043 0.1536 0.6294
Brugia malayi Cyclin, N-terminal domain containing protein 0.0123 0.0377 0.0423
Loa Loa (eye worm) cyclin fold protein 1 variant b 0.0123 0.0377 0.0423
Echinococcus multilocularis cyclins 0.0509 0.1834 0.1834
Loa Loa (eye worm) hypothetical protein 0.0066 0.0164 0.018
Trichomonas vaginalis AGC family protein kinase 0.043 0.1536 0.6294
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.043 0.1536 0.1536
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0174 0.0569 0.0644
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0336 0.1183 0.77
Loa Loa (eye worm) cyclin domain-containing protein 0.0123 0.0377 0.0423
Onchocerca volvulus 0.0276 0.0954 0.3892
Schistosoma mansoni cyclin G 0.0123 0.0377 0.0377
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.0076 0.02 0.0821
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0336 0.1183 0.77
Entamoeba histolytica cyclin, putative 0.0509 0.1834 0.7514
Echinococcus granulosus microtubule associated protein 2 0.069 0.2516 0.2516
Schistosoma mansoni serine/threonine protein kinase 0.0281 0.0973 0.0973
Loa Loa (eye worm) hypothetical protein 0.0161 0.052 0.0588
Brugia malayi Protein kinase domain containing protein 0.0245 0.0837 0.0951
Echinococcus granulosus dnaJ subfamily B 0.0409 0.1456 0.1456
Trichomonas vaginalis STE family protein kinase 0.0095 0.0272 0.1113
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0085 0.0235 0.0235
Entamoeba histolytica cyclin C, putative 0.0123 0.0377 0.1544
Echinococcus granulosus cyclins 0.0509 0.1834 0.1834
Onchocerca volvulus Cyclin L homolog 0.0123 0.0377 0.1518
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.0377 0.1544
Leishmania major cyclin 9, putative 0.0123 0.0377 0.1544
Plasmodium vivax cyclin dependent kinase binding protein, putative 0.0123 0.0377 0.2453
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0336 0.1183 0.1347
Schistosoma mansoni hypothetical protein 0.0409 0.1456 0.1456
Leishmania major cathepsin L-like protease 0.0064 0.0154 0.0631
Echinococcus multilocularis myotubularin protein 13 0.0071 0.018 0.018
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0066 0.0164 0.0164
Entamoeba histolytica PH domain containing protein kinase, putative 0.0161 0.052 0.2133
Toxoplasma gondii AGC kinase 0.043 0.1536 1
Echinococcus granulosus cyclin A3 4 0.0123 0.0377 0.0377
Schistosoma mansoni serine/threonine kinase 0.009 0.0253 0.0253
Toxoplasma gondii hypothetical protein 0.0123 0.0377 0.2453
Echinococcus granulosus cyclins 0.0509 0.1834 0.1834
Schistosoma mansoni atypical protein kinase C 0.0245 0.0837 0.0837
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0869 0.3193 0.3193
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.043 0.1536 0.1536
Trichomonas vaginalis CMGC family protein kinase 0.0245 0.0837 0.3429
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0119 0.0772
Brugia malayi hypothetical protein 0.0123 0.0377 0.0423
Trichomonas vaginalis cyclins, putative 0.067 0.244 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0157 0.0505 0.0505
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.043 0.1536 0.6294
Brugia malayi diacylglycerol kinase 0.0066 0.0164 0.018
Echinococcus granulosus protein kinase c epsilon type 0.0301 0.1047 0.1047
Giardia lamblia G2/mitotic-specific cyclin B 0.067 0.244 1
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.043 0.1536 0.1536
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.0095 0.0272 0.1113
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0154 0.0631
Loa Loa (eye worm) AGC/NDR protein kinase 0.009 0.0253 0.0281
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0143 0.0454 0.0512
Trichomonas vaginalis AGC family protein kinase 0.0095 0.0272 0.1113
Echinococcus granulosus cyclin b3 0.0509 0.1834 0.1834
Schistosoma mansoni serine/threonine protein kinase 0.043 0.1536 0.1536
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.043 0.1536 0.1536
Echinococcus granulosus myotubularin protein 13 0.0071 0.018 0.018
Echinococcus multilocularis RNA directed DNA polymerase 0.0118 0.0359 0.0359
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0154 0.0631
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0154 0.0631
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase subunit type II alpha 0.2337 0.8731 1
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.009 0.0253 0.0281
Schistosoma mansoni cyclin d 0.0123 0.0377 0.0377
Schistosoma mansoni cpg binding protein 0.003 0.0028 0.0028
Trypanosoma brucei cyclin 3 0.0123 0.0377 0.1544
Echinococcus multilocularis cyclins 0.0509 0.1834 0.1834
Echinococcus multilocularis cyclin t1 0.0123 0.0377 0.0377
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.0377 0.1544
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0336 0.1183 0.77
Schistosoma mansoni serine/threonine protein kinase 0.009 0.0253 0.0253
Trichomonas vaginalis cyclin B3, putative 0.0123 0.0377 0.1544
Loa Loa (eye worm) hypothetical protein 0.0066 0.0164 0.018
Trypanosoma brucei cdc2-related kinase 3 0.0245 0.0837 0.3429
Trypanosoma cruzi cyclin, putative 0.067 0.244 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.061 0.0691
Trichomonas vaginalis cyclin D, putative 0.0123 0.0377 0.1544
Entamoeba histolytica PH domain containing protein kinase, putative 0.0434 0.1551 0.6357
Entamoeba histolytica diacylglycerol kinase, putative 0.0066 0.0164 0.0673
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.043 0.1536 0.1536
Schistosoma mansoni serine/threonine protein kinase 0.0085 0.0235 0.0235
Leishmania major cathepsin L-like protease 0.0064 0.0154 0.0631
Trichomonas vaginalis CMGC family protein kinase 0.0245 0.0837 0.3429
Trichomonas vaginalis cyclin B, putative 0.0509 0.1834 0.7514
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0336 0.1183 0.1347
Loa Loa (eye worm) cyclin domain-containing protein 0.1372 0.509 0.5826
Giardia lamblia Kinase, AGC PKA 0.043 0.1536 0.5617
Echinococcus multilocularis Diacylglycerol kinase theta 0.0066 0.0164 0.0164
Echinococcus granulosus cyclin G2 0.0123 0.0377 0.0377
Trypanosoma brucei rac serine-threonine kinase, putative 0.0094 0.0268 0.1099
Echinococcus granulosus cyclin y 0.0123 0.0377 0.0377
Schistosoma mansoni cyclin G2 0.0123 0.0377 0.0377
Schistosoma mansoni serine/threonine protein kinase 0.0245 0.0837 0.0837
Trichomonas vaginalis cyclin B3, putative 0.0509 0.1834 0.7514
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0123 0.0377 0.0377
Trichomonas vaginalis AGC family protein kinase 0.0094 0.0268 0.1099
Trichomonas vaginalis AGC family protein kinase 0.009 0.0253 0.1035
Trypanosoma brucei cdc2-related kinase 1 0.0245 0.0837 0.3429
Entamoeba histolytica cell division protein kinase 2, putative 0.0245 0.0837 0.3429
Loa Loa (eye worm) cyclin domain-containing protein 0.0123 0.0377 0.0423
Loa Loa (eye worm) AGC/AKT protein kinase 0.0094 0.0268 0.0299
Plasmodium falciparum protein kinase 5 0.0245 0.0837 0.4563
Schistosoma mansoni cyclin B3 0.0869 0.3193 0.3193
Loa Loa (eye worm) hypothetical protein 0.0123 0.0377 0.0423
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0336 0.1183 0.1183
Plasmodium falciparum cyclin 1 0.0123 0.0377 0.2055
Trichomonas vaginalis AGC family protein kinase 0.0094 0.0268 0.1099
Loa Loa (eye worm) hypothetical protein 0.0123 0.0377 0.0423
Trypanosoma cruzi CYC2-like cyclin, putative 0.067 0.244 1
Loa Loa (eye worm) cyclin C 0.0123 0.0377 0.0423
Echinococcus granulosus calcium dependent protein kinase 0.0318 0.1111 0.1111
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0073 0.0188 0.0188
Entamoeba histolytica cyclin family protein 0.0509 0.1834 0.7514
Trichomonas vaginalis cyclins, putative 0.0284 0.0983 0.403
Trichomonas vaginalis conserved hypothetical protein 0.0509 0.1834 0.7514
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0336 0.1183 0.1183
Brugia malayi Cyclin, N-terminal domain containing protein 0.1372 0.509 0.5826
Echinococcus multilocularis cyclin y 0.0123 0.0377 0.0377
Echinococcus multilocularis cyclin dependent kinase 1 0.0245 0.0837 0.0837
Schistosoma mansoni cyclin l 0.0123 0.0377 0.0377
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.043 0.1536 1
Brugia malayi RhoGEF domain containing protein 0.0066 0.0164 0.018
Leishmania major protein kinase, putative,eukaryotic translation initiation factor 2-alpha kinase precursor, putative 0.0095 0.0272 0.1113
Plasmodium falciparum cyclin 0.0509 0.1834 1
Trichomonas vaginalis cyclin B, putative 0.067 0.244 1
Echinococcus multilocularis cyclins 0.0509 0.1834 0.1834
Trypanosoma brucei mitotic cyclin 0.0123 0.0377 0.1544
Trypanosoma cruzi cdc2-related kinase 3 0.0245 0.0837 0.3429
Onchocerca volvulus 0.0123 0.0377 0.1518
Brugia malayi Protein kinase domain containing protein 0.009 0.0253 0.0281
Leishmania major cathepsin L-like protease 0.0064 0.0154 0.0631
Echinococcus multilocularis raf serine:threonine protein kinase 0.0066 0.0164 0.0164
Echinococcus multilocularis protein kinase c iota type 0.0239 0.0814 0.0814
Trichomonas vaginalis cyclin B, putative 0.067 0.244 1
Trichomonas vaginalis cyclins, putative 0.0509 0.1834 0.7514
Plasmodium falciparum calcium-dependent protein kinase 3 0.0336 0.1183 0.6449
Plasmodium falciparum cyclin dependent kinase binding protein, putative 0.0123 0.0377 0.2055
Echinococcus multilocularis cyclin G2 0.0123 0.0377 0.0377
Entamoeba histolytica cell division protein kinase 2, putative 0.0245 0.0837 0.3429
Echinococcus multilocularis cyclin 0.0123 0.0377 0.0377
Echinococcus multilocularis serine:threonine protein kinase 38 0.009 0.0253 0.0253
Brugia malayi Protein kinase domain containing protein 0.0085 0.0235 0.0261
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0245 0.0837 0.3429
Echinococcus multilocularis serine:threonine protein kinase N2 0.0228 0.0773 0.0773
Echinococcus granulosus cpg binding protein 0.003 0.0028 0.0028
Schistosoma mansoni serine/threonine protein kinase 0.009 0.0253 0.0253
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.0154 0.0631
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0336 0.1183 0.77
Schistosoma mansoni protein kinase C mu 0.0207 0.0694 0.0694
Entamoeba histolytica protein kinase, putative 0.009 0.0253 0.1035
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.043 0.1536 0.1536
Echinococcus granulosus cyclin dependent kinase 5 0.0245 0.0837 0.0837
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0154 0.0631
Echinococcus granulosus Cyclin L1 0.0123 0.0377 0.0377
Loa Loa (eye worm) RasGEF domain-containing protein 0.0066 0.0164 0.018
Echinococcus multilocularis serine:threonine protein kinase N2 0.009 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0071 0.018 0.0197
Trichomonas vaginalis AGC family protein kinase 0.009 0.0253 0.1035
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0022 0.0016
Trypanosoma cruzi mitotic cyclin, putative 0.0123 0.0377 0.1544
Onchocerca volvulus 0.0192 0.0639 0.2595
Echinococcus granulosus cyclin B 0.067 0.244 0.244
Plasmodium falciparum calcium-dependent protein kinase 1 0.0336 0.1183 0.6449
Echinococcus multilocularis unc 13 (munc13) 0.0073 0.0188 0.0188
Trichomonas vaginalis cyclins, putative 0.0123 0.0377 0.1544
Trichomonas vaginalis AGC family protein kinase 0.0094 0.0268 0.1099
Loa Loa (eye worm) hypothetical protein 0.067 0.244 0.2789
Echinococcus granulosus protein kinase c eta type 0.0066 0.0164 0.0164
Echinococcus multilocularis Cyclin L1 0.0123 0.0377 0.0377
Brugia malayi p70 ribosomal S6 kinase beta 0.009 0.0253 0.0281
Echinococcus multilocularis N chimaerin 0.0066 0.0164 0.0164
Schistosoma mansoni Cyclin fold protein 0.0123 0.0377 0.0377
Toxoplasma gondii hypothetical protein 0.0386 0.137 0.8922
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0154 0.0631
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.043 0.1536 0.6294
Echinococcus multilocularis cyclin y 0.0123 0.0377 0.0377
Schistosoma mansoni hypothetical protein 0.0066 0.0164 0.0164
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0123 0.0377 0.0377
Schistosoma mansoni serine/threonine protein kinase 0.0245 0.0837 0.0837
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0066 0.0164 0.018
Loa Loa (eye worm) hypothetical protein 0.0276 0.0954 0.1085
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0123 0.0377 0.2055
Echinococcus granulosus cyclin dependent kinase 1 0.0245 0.0837 0.0837
Echinococcus granulosus cyclin k 0.0123 0.0377 0.0377
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.009 0.0253 0.0253
Trypanosoma brucei mitotic cyclin 6 0.067 0.244 1
Giardia lamblia Cyclin A 0.0509 0.1834 0.706
Loa Loa (eye worm) AGC/PKA protein kinase 0.043 0.1536 0.1752
Brugia malayi Cyclin, N-terminal domain containing protein 0.0123 0.0377 0.0423
Plasmodium vivax serine/threonine protein kinase, putative 0.0095 0.0272 0.1768
Echinococcus multilocularis cyclin dependent kinase 1 0.0245 0.0837 0.0837
Echinococcus multilocularis cyclins 0.0509 0.1834 0.1834
Trypanosoma cruzi cdc2-related kinase 1 0.0245 0.0837 0.3429
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0276 0.0954 0.1085
Loa Loa (eye worm) AGC/PKA protein kinase 0.043 0.1536 0.1752
Leishmania major mitotic cyclin, putative 0.0123 0.0377 0.1544
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0118 0.0359 0.0359
Entamoeba histolytica protein kinase, putative 0.0336 0.1183 0.4846
Loa Loa (eye worm) hypothetical protein 0.0066 0.0164 0.018
Trichomonas vaginalis CAMK family protein kinase 0.0336 0.1183 0.4846
Onchocerca volvulus Cyclin L homolog 0.0123 0.0377 0.1518
Schistosoma mansoni protein kinase 0.2673 1 1
Toxoplasma gondii diacylglycerol kinase, putative 0.0066 0.0164 0.1069
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.2337 0.8731 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0066 0.0164 0.018
Onchocerca volvulus 0.0122 0.0373 0.1501
Echinococcus granulosus cyclin G2 0.0123 0.0377 0.0377
Plasmodium vivax calcium-dependent protein kinase, putative 0.0336 0.1183 0.77
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0245 0.0837 0.0951
Trichomonas vaginalis cyclin B, putative 0.067 0.244 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.067 0.244 0.2789
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.043 0.1536 0.6294
Echinococcus granulosus cyclins 0.0509 0.1834 0.1834
Brugia malayi Cyclin, N-terminal domain containing protein 0.0123 0.0377 0.0423
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0154 0.0631
Loa Loa (eye worm) hypothetical protein 0.0122 0.0373 0.0419
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0411 0.1465 0.1465
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0071 0.0181 0.0744
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.067 0.244 1
Schistosoma mansoni microtubule-associated protein tau 0.069 0.2516 0.2516
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0154 0.0631
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0141 0.0444 0.05
Plasmodium falciparum calcium-dependent protein kinase 5 0.0336 0.1183 0.6449
Loa Loa (eye worm) AGC/PKN protein kinase 0.009 0.0253 0.0281
Echinococcus multilocularis calcium dependent protein kinase 0.0318 0.1111 0.1111
Trypanosoma cruzi cdc2-related kinase 1 0.0245 0.0837 0.3429
Plasmodium vivax hypothetical protein, conserved 0.0123 0.0377 0.2453
Loa Loa (eye worm) CYL-1 protein 0.0123 0.0377 0.0423
Loa Loa (eye worm) hypothetical protein 0.0188 0.0623 0.0706
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0154 0.0631
Brugia malayi Cyclin, N-terminal domain containing protein 0.067 0.244 0.2789
Schistosoma mansoni unc-13 (munc13) 0.0073 0.0188 0.0188
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0085 0.0235 0.0235
Echinococcus granulosus Protein kinase C brain isozyme 0.0281 0.0973 0.0973
Plasmodium falciparum calcium-dependent protein kinase 2 0.0336 0.1183 0.6449
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0073 0.0188 0.0188
Schistosoma mansoni serine/threonine protein kinase 0.009 0.0253 0.0253
Entamoeba histolytica protein kinase, putative 0.0094 0.0268 0.1099
Schistosoma mansoni serine/threonine protein kinase 0.043 0.1536 0.1536
Brugia malayi RhoGAP domain containing protein 0.0066 0.0164 0.018
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.009 0.0253 0.0253
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0066 0.0164 0.0164
Onchocerca volvulus 0.0188 0.0623 0.2531
Echinococcus granulosus cyclins 0.0509 0.1834 0.1834
Trichomonas vaginalis cyclins, putative 0.0123 0.0377 0.1544
Trichomonas vaginalis cyclin B, putative 0.067 0.244 1
Echinococcus granulosus cyclin t1 0.0123 0.0377 0.0377
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0336 0.1183 0.4846
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0154 0.0631
Echinococcus multilocularis Rac GTPase activating protein 1 0.0066 0.0164 0.0164
Echinococcus granulosus serine:threonine protein kinase N2 0.009 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.043 0.1536 0.1752
Brugia malayi Cyclin, N-terminal domain containing protein 0.0869 0.3193 0.3651
Entamoeba histolytica protein kinase, putative 0.0343 0.1206 0.4943
Schistosoma mansoni cyclins 0.0509 0.1834 0.1834
Trypanosoma cruzi cyclin, putative 0.067 0.244 1
Echinococcus granulosus N chimaerin 0.0066 0.0164 0.0164
Schistosoma mansoni vav2 0.0071 0.018 0.018
Trypanosoma brucei cyclin 9 0.0123 0.0377 0.1544
Brugia malayi Hr1 repeat family protein 0.009 0.0253 0.0281
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.009 0.0253 0.0253
Trypanosoma cruzi cyclin 6, putative 0.067 0.244 1
Trypanosoma brucei eukaryotic translation initiation factor 2-alpha kinase 2 0.0095 0.0272 0.1113
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0154 0.0631
Trichomonas vaginalis cyclin A, putative 0.0123 0.0377 0.1544
Schistosoma mansoni serine/threonine protein kinase 0.0281 0.0973 0.0973
Brugia malayi Protein kinase domain containing protein 0.009 0.0253 0.0281
Brugia malayi hypothetical protein 0.0123 0.0377 0.0423
Onchocerca volvulus 0.0073 0.0188 0.0742
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0058 0.0133 0.0545
Loa Loa (eye worm) hypothetical protein 0.0066 0.0164 0.018
Brugia malayi RhoGAP domain containing protein 0.0066 0.0164 0.018
Loa Loa (eye worm) hypothetical protein 0.0122 0.0373 0.0419
Onchocerca volvulus 0.0029 0.0022 0.0059
Echinococcus multilocularis cyclin dependent kinase 5 0.0245 0.0837 0.0837
Loa Loa (eye worm) cyclin domain-containing protein 0.0869 0.3193 0.3651
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.009 0.0253 0.0281
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0336 0.1183 0.1183
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0336 0.1183 0.1183
Loa Loa (eye worm) cyclin domain-containing protein 0.0123 0.0377 0.0423
Trypanosoma cruzi major cysteine proteinase, putative 0.005 0.0102 0.042
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0336 0.1183 0.77
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.043 0.1536 0.6294
Echinococcus granulosus RNA directed DNA polymerase 0.0118 0.0359 0.0359
Schistosoma mansoni hypothetical protein 0.0123 0.0377 0.0377
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0245 0.0837 0.0951
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0281 0.0973 0.0973
Trichomonas vaginalis CMGC family protein kinase 0.0245 0.0837 0.3429
Loa Loa (eye worm) hypothetical protein 0.0336 0.1183 0.1347
Brugia malayi cell division control protein 2 homolog 0.0245 0.0837 0.0951
Schistosoma mansoni serine/threonine protein kinase 0.0085 0.0235 0.0235
Echinococcus granulosus Diacylglycerol kinase theta 0.0066 0.0164 0.0164
Echinococcus granulosus protein kinase C gamma type 0.0214 0.0722 0.0722
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0245 0.0837 0.0951
Brugia malayi cyclin fold protein 1 variant b 0.0123 0.0377 0.0423
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0066 0.0164 0.018
Loa Loa (eye worm) hypothetical protein 0.0226 0.0766 0.0869
Brugia malayi Cyclin, N-terminal domain containing protein 0.0123 0.0377 0.0423
Trypanosoma cruzi hypothetical protein, conserved 0.0123 0.0377 0.1544
Trypanosoma cruzi mitotic cyclin, putative 0.0123 0.0377 0.1544
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0207 0.0694 0.0788
Echinococcus granulosus Rac GTPase activating protein 1 0.0066 0.0164 0.0164
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0154 0.0631
Echinococcus multilocularis cyclin A3 4 0.0123 0.0377 0.0377
Toxoplasma gondii AGC kinase 0.009 0.0253 0.1645
Loa Loa (eye worm) hypothetical protein 0.0073 0.0188 0.0207
Echinococcus granulosus cyclin 0.0123 0.0377 0.0377
Echinococcus multilocularis dnaJ subfamily B 0.0409 0.1456 0.1456
Loa Loa (eye worm) hypothetical protein 0.0366 0.1294 0.1474
Loa Loa (eye worm) raf kinase 0.0066 0.0164 0.018
Echinococcus multilocularis cyclins 0.0509 0.1834 0.1834
Schistosoma mansoni diacylglycerol kinase theta 0.0066 0.0164 0.0164
Brugia malayi Protein kinase c protein 2 0.021 0.0705 0.08
Echinococcus multilocularis cyclin b3 0.0509 0.1834 0.1834
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0336 0.1183 0.1183
Trypanosoma cruzi Eukaryotic translation initiation factor 2-alpha kinase 2 0.0095 0.0272 0.1113
Toxoplasma gondii cyclin, N-terminal domain-containing protein 0.0123 0.0377 0.2453
Giardia lamblia Hypothetical protein 0.0509 0.1834 0.706
Trichomonas vaginalis cyclin B, putative 0.0123 0.0377 0.1544
Echinococcus granulosus raf serine:threonine protein kinase 0.0066 0.0164 0.0164
Trypanosoma cruzi cyclin 9, putative 0.0123 0.0377 0.1544
Echinococcus multilocularis cdk5 and abl1 enzyme substrate 1 0.0123 0.0377 0.0377
Echinococcus multilocularis serine threonine protein kinase 0.0214 0.0722 0.0722
Plasmodium vivax cyclin homologue, putative 0.0123 0.0377 0.2453
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.009 0.0253 0.0253
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.2673 1 1
Trichomonas vaginalis AGC family protein kinase 0.0094 0.0268 0.1099
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.009 0.0253 0.0281
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0164 0.0164
Trichomonas vaginalis AGC family protein kinase 0.0094 0.0268 0.1099
Schistosoma mansoni protein kinase C mu 0.0066 0.0164 0.0164
Entamoeba histolytica diacylglycerol kinase, putative 0.0066 0.0164 0.0673
Loa Loa (eye worm) hypothetical protein 0.0276 0.0954 0.1085
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.043 0.1536 0.1536
Brugia malayi Protein kinase domain containing protein 0.0094 0.0268 0.0299
Loa Loa (eye worm) hypothetical protein 0.0118 0.0359 0.0404
Echinococcus multilocularis cyclin B 0.067 0.244 0.244
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0154 0.0631
Echinococcus multilocularis cyclin k 0.0123 0.0377 0.0377
Schistosoma mansoni protein kinase C 0.0073 0.0188 0.0188

Activities

Activity type Activity value Assay description Source Reference
LD50 (functional) = 0.495 mM kg-1 Tested in mouse for significant protection against the lethal effects of 2xLD50 of soman without atropine. ChEMBL. 2913310
LD50 (functional) = 0.4950000000000001 mM kg-1 Tested in mouse for significant protection against the lethal effects of 2xLD50 of soman without atropine. ChEMBL. 2913310
logD (ADMET) = -2.1 Partition coefficient (logD7.6) ChEMBL. 2913310
pKa = 7.99 Dissociation constant (pKa) (in 0.1 M phosphate buffer) ChEMBL. 2913310
Survivors (functional) = 0 Number of surviving mice after the administration of compound and 11.2 mg/kg of atropine sulfate and 1/8 LD50 of 2-PAM. ChEMBL. 2913310
Survivors (functional) = 0 Number of surviving mice after the administration of compound and 11.2 mg/kg of atropine sulfate and 1/16 LD50 of 2-PAM. ChEMBL. 2913310
Survivors (functional) = 4 Number of surviving mice after the administration of compound and 11.2 mg/kg of atropine sulfate and 1/4 LD50 of 2-PAM. ChEMBL. 2913310

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

1 literature reference was collected for this gene.

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