Detailed information for compound 456258

Basic information

Technical information
  • TDR Targets ID: 456258
  • Name: 3-(2,3-dichlorophenyl)-4-[(2-methylphenyl)met hyl]-1,2,4-triazole
  • MW: 318.201 | Formula: C16H13Cl2N3
  • H donors: 0 H acceptors: 2 LogP: 4.3 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1Cn1cnnc1c1cccc(c1Cl)Cl
  • InChi: 1S/C16H13Cl2N3/c1-11-5-2-3-6-12(11)9-21-10-19-20-16(21)13-7-4-8-14(17)15(13)18/h2-8,10H,9H2,1H3
  • InChiKey: SVYVANGGEXSFSF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2,3-dichlorophenyl)-4-(o-tolylmethyl)-1,2,4-triazole
  • 3-(2,3-dichlorophenyl)-4-(2-methylbenzyl)-1,2,4-triazole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens purinergic receptor P2X, ligand-gated ion channel, 7 Starlite/ChEMBL References
Rattus norvegicus P2X purinoceptor 7 Starlite/ChEMBL References

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
Trichomonas vaginalis STE family protein kinase 0.0125 0.1477 1
Toxoplasma gondii casein kinase I 0.005 0.0441 0.189
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0063 0.0063
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0071 0.0733 0.2305
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0499 0.3377
Brugia malayi Protein kinase domain containing protein 0.0022 0.0063 0.0063
Brugia malayi serine/threonine-protein kinase PAK 7 0.0216 0.2751 0.2751
Schistosoma mansoni protein kinase 0.0032 0.02 0.02
Echinococcus granulosus protein kinase C gamma type 0.0022 0.0063 0.0198
Trypanosoma cruzi casein kinase, putative 0.005 0.0441 0.3602
Schistosoma mansoni protein kinase 0.0071 0.0733 0.0733
Echinococcus multilocularis casein kinase I alpha 0.005 0.0441 0.1387
Trypanosoma cruzi casein kinase, delta isoform, putative 0.0043 0.0352 0.1645
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0216 0.2751 0.2751
Trichomonas vaginalis CK1 family protein kinase 0.005 0.0441 0.2985
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.0521 0.0521
Echinococcus multilocularis serine threonine protein kinase nrc serine threonine protein kinase gad 0.0038 0.0277 0.087
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.02 0.0627
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0022 0.0063 0.0198
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0032 0.02 0.02
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.0199 0.2502 0.7868
Entamoeba histolytica p21-activated kinase 0.0024 0.0089 0.0613
Echinococcus multilocularis protein kinase c iota type 0.0022 0.0063 0.0198
Trichomonas vaginalis AGC family protein kinase 0.0071 0.0733 0.4962
Brugia malayi Protein kinase domain containing protein 0.0022 0.0063 0.0063
Trichomonas vaginalis CAMK family protein kinase 0.0032 0.02 0.135
Schistosoma mansoni P2X receptor subunit 0.0164 0.2023 0.2023
Echinococcus multilocularis PAK box P21 Rho binding 0.0024 0.0089 0.0281
Brugia malayi serine/threonine kinase 12 0.0071 0.0733 0.0733
Echinococcus multilocularis serine:threonine protein kinase N2 0.0022 0.0063 0.0198
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0022 0.0063 0.0063
Plasmodium vivax casein kinase 1, putative 0.005 0.0441 0.189
Plasmodium vivax rac-beta serine/threonine protein kinase, putative 0.0038 0.0277 0.0603
Echinococcus granulosus aurora kinase A 0.0071 0.0733 0.2305
Echinococcus multilocularis serine threonine protein kinase 0.0022 0.0063 0.0198
Brugia malayi cell division control protein 2 homolog 0.0056 0.0521 0.0521
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0056 0.0521 0.164
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0056 0.0521 0.2519
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0024 0.0089 0.0281
Echinococcus granulosus casein kinase I delta 0.005 0.0441 0.1387
Toxoplasma gondii NIMA-related protein kinase NIMA1 0.0125 0.1477 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0056 0.0521 0.0521
Echinococcus multilocularis cyclin dependent kinase 1 0.0056 0.0521 0.164
Schistosoma mansoni tyrosine kinase 0.024 0.3072 0.3072
Giardia lamblia Aurora kinase 0.0071 0.0733 0.4638
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0063 0.0063
Entamoeba histolytica protein kinase, putative 0.0071 0.0733 0.5026
Loa Loa (eye worm) hypothetical protein 0.0032 0.02 0.02
Brugia malayi Tyrosine-protein kinase abl-1 0.0147 0.1784 0.1784
Echinococcus multilocularis cyclin dependent kinase 1 0.0056 0.0521 0.164
Trichomonas vaginalis STE family protein kinase 0.0024 0.0089 0.0605
Echinococcus granulosus p2X purinoceptor 4 0.0164 0.2023 0.6361
Trypanosoma cruzi cdc2-related kinase 1 0.0056 0.0521 0.5365
Giardia lamblia Kinase, AGC PKA 0.0038 0.0277 0.1348
Echinococcus granulosus protein kinase c iota type 0.0022 0.0063 0.0198
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0032 0.02 0.02
Toxoplasma gondii AGC kinase 0.0054 0.0499 0.2343
Trypanosoma cruzi aurora B kinase, putative 0.0071 0.0733 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0022 0.0063 0.0198
Entamoeba histolytica protein kinase, putative 0.0024 0.0089 0.0613
Trypanosoma brucei cdc2-related kinase 3 0.0056 0.0521 0.6034
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0024 0.0089 0.0281
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.005 0.0441 0.0441
Entamoeba histolytica protein kinase, putative 0.0054 0.0499 0.3421
Loa Loa (eye worm) AGC/PKN protein kinase 0.0022 0.0063 0.0063
Trypanosoma cruzi casein kinase, putative 0.005 0.0441 0.3602
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0499 0.3377
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0024 0.0089 0.0281
Echinococcus multilocularis casein kinase I alpha 0.005 0.0441 0.1387
Brugia malayi serine/threonine protein kinase 6 0.0071 0.0733 0.0733
Schistosoma mansoni P2X receptor subunit 0.0164 0.2023 0.2023
Trypanosoma cruzi casein kinase, putative 0.005 0.0441 0.3602
Schistosoma mansoni tyrosine kinase 0.002 0.003 0.003
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.0199 0.2502 0.7868
Plasmodium falciparum protein kinase, putative 0.0123 0.1459 0.9852
Echinococcus granulosus serine threonine protein kinase 0.0123 0.1459 0.4587
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0521 0.353
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0024 0.0089 0.0281
Leishmania major protein kinase, putative 0.0071 0.0733 1
Trichomonas vaginalis AGC family protein kinase 0.0022 0.0063 0.0426
Trypanosoma cruzi cdc2-related kinase 3 0.0056 0.0521 0.5365
Plasmodium falciparum RAC-beta serine/threonine protein kinase 0.0038 0.0277 0.0603
Echinococcus granulosus NDR protein kinase 0.0022 0.0063 0.0198
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0071 0.0733 0.5026
Entamoeba histolytica cell division protein kinase 2, putative 0.0056 0.0521 0.3575
Schistosoma mansoni protein kinase 0.0032 0.02 0.02
Entamoeba histolytica protein kinase 2, putative 0.0038 0.0277 0.1896
Echinococcus granulosus serine:threonine protein kinase N2 0.0022 0.0063 0.0198
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.074 1 1
Trypanosoma brucei cdc2-related kinase 1 0.0056 0.0521 0.6034
Schistosoma mansoni serine/threonine protein kinase 0.074 1 1
Echinococcus granulosus cyclin dependent kinase 0.0056 0.0521 0.164
Entamoeba histolytica protein kinase, putative 0.0024 0.0089 0.0613
Trichomonas vaginalis AGC family protein kinase 0.0022 0.0063 0.0426
Echinococcus granulosus casein kinase I delta 0.005 0.0441 0.1387
Trypanosoma cruzi casein kinase, putative 0.005 0.0441 0.3602
Echinococcus granulosus serine/threonine protein kinase 0.0038 0.0277 0.087
Trichomonas vaginalis AGC family protein kinase 0.0022 0.0063 0.0426
Giardia lamblia Kinase, CK1 Casein kinase 0.005 0.0441 0.2533
Schistosoma mansoni protein kinase 0.005 0.0441 0.0441
Entamoeba histolytica casein kinase, putative 0.005 0.0441 0.3024
Echinococcus multilocularis p2X purinoceptor 4 0.0164 0.2023 0.6361
Echinococcus granulosus nervana 2 0.0031 0.0187 0.0589
Plasmodium falciparum casein kinase 1 0.005 0.0441 0.189
Echinococcus granulosus casein kinase I alpha 0.005 0.0441 0.1387
Entamoeba histolytica protein kinase, putative 0.0024 0.0089 0.0613
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0071 0.0733 0.5026
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0521 0.353
Brugia malayi Protein kinase domain 0.0024 0.0089 0.0089
Plasmodium vivax NIMA-related protein kinase (Pfnek-1), putative 0.0125 0.1477 1
Schistosoma mansoni serine/threonine kinase 0.0022 0.0063 0.0063
Loa Loa (eye worm) AUR protein kinase 0.0071 0.0733 0.0733
Trichomonas vaginalis STE family protein kinase 0.0123 0.1459 0.9872
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0032 0.02 0.02
Trichomonas vaginalis AGC family protein kinase 0.0022 0.0063 0.0426
Trichomonas vaginalis STE family protein kinase 0.0024 0.0089 0.0605
Entamoeba histolytica protein kinase, putative 0.0024 0.0089 0.0613
Brugia malayi Protein kinase domain containing protein 0.0054 0.0499 0.0499
Echinococcus multilocularis casein kinase i 0.005 0.0441 0.1387
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0022 0.0063 0.0198
Trichomonas vaginalis CMGC family protein kinase 0.0056 0.0521 0.353
Entamoeba histolytica protein kinase, putative 0.0022 0.0063 0.0432
Brugia malayi Protein kinase domain containing protein 0.0056 0.0521 0.0521
Trypanosoma cruzi cdc2-related kinase 1 0.0056 0.0521 0.5365
Entamoeba histolytica protein kinase, putative 0.0071 0.0733 0.5026
Echinococcus multilocularis cyclin dependent kinase 0.0056 0.0521 0.164
Plasmodium vivax protein kinase Crk2 0.0056 0.0521 0.2519
Echinococcus granulosus cyclin dependent kinase 5 0.0056 0.0521 0.164
Trichomonas vaginalis STE family protein kinase 0.0024 0.0089 0.0605
Brugia malayi serine/threonine-protein kinase 6 0.0071 0.0733 0.0733
Echinococcus granulosus Glutaredoxin protein 5 0.0031 0.0187 0.0589
Giardia lamblia Kinase, CMGC CDK 0.0056 0.0521 0.3113
Brugia malayi Tyrosine-protein kinase abl-1 0.0108 0.1253 0.1253
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0022 0.0063 0.0198
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.02 0.0627
Trichomonas vaginalis AGC family protein kinase 0.0071 0.0733 0.4962
Echinococcus multilocularis tyrosine protein kinase Abl 0.0108 0.1253 0.3941
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0063 0.0063
Schistosoma mansoni protein kinase 0.0024 0.0089 0.0089
Schistosoma mansoni protein kinase 0.0024 0.0089 0.0089
Echinococcus multilocularis rac serine:threonine kinase 0.0038 0.0277 0.087
Echinococcus granulosus serine threonine protein kinase nrc 0.0038 0.0277 0.087
Echinococcus granulosus cyclin dependent kinase 1 0.0056 0.0521 0.164
Entamoeba histolytica protein kinase, putative 0.0054 0.0499 0.3421
Loa Loa (eye worm) AUR protein kinase 0.0071 0.0733 0.0733
Schistosoma mansoni P2X receptor subunit 0.0164 0.2023 0.2023
Loa Loa (eye worm) STE/STE20/YSK protein kinase 0.0123 0.1459 0.1459
Plasmodium falciparum serine/threonine protein kinase, putative 0.0071 0.0733 0.4175
Onchocerca volvulus 0.005 0.0441 1
Entamoeba histolytica casein kinase 1, putative 0.005 0.0441 0.3024
Trichomonas vaginalis STE family protein kinase 0.0024 0.0089 0.0605
Schistosoma mansoni protein kinase 0.0032 0.02 0.02
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0499 0.3377
Loa Loa (eye worm) hypothetical protein 0.0093 0.104 0.104
Brugia malayi protein kinase C II. 0.0022 0.0063 0.0063
Echinococcus multilocularis Glutaredoxin protein 5 0.0031 0.0187 0.0589
Schistosoma mansoni serine/threonine protein kinase 0.0123 0.1459 0.1459
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0063 0.0063
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0247 0.318 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0056 0.0521 0.0521
Brugia malayi casein kinase I 0.005 0.0441 0.0441
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0071 0.0733 0.2305
Loa Loa (eye worm) CK1/CK1/CK1-D protein kinase 0.005 0.0441 0.0441
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0054 0.0499 0.0499
Trypanosoma brucei rac serine-threonine kinase, putative 0.0054 0.0499 0.5611
Echinococcus multilocularis aurora kinase A 0.0071 0.0733 0.2305
Echinococcus granulosus nervana 2 0.0031 0.0187 0.0589
Echinococcus multilocularis sodium:potassium dependent atpase beta subunit 0.0031 0.0187 0.0589
Entamoeba histolytica protein kinase , putative 0.0071 0.0733 0.5026
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0063 0.0063
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0063 0.0063
Brugia malayi Hr1 repeat family protein 0.0022 0.0063 0.0063
Echinococcus multilocularis nervana 2 0.0031 0.0187 0.0589
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0022 0.0063 0.0063
Schistosoma mansoni serine/threonine protein kinase 0.0028 0.0136 0.0136
Entamoeba histolytica PH domain containing protein kinase, putative 0.0038 0.0277 0.1896
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0499 0.3377
Trypanosoma cruzi casein kinase, putative 0.005 0.0441 0.3602
Echinococcus granulosus calcium:calmodulin dependent protein kinase 0.0038 0.0277 0.087
Echinococcus multilocularis nervana 2 0.0031 0.0187 0.0589
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.02 0.0627
Echinococcus multilocularis serine:threonine protein kinase N2 0.0022 0.0063 0.0198
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.02 0.0627
Schistosoma mansoni serine/threonine protein kinase 0.0032 0.02 0.02
Echinococcus multilocularis protein kinase c epsilon type 0.0022 0.0063 0.0198
Loa Loa (eye worm) CK1/CK1/CK1-A protein kinase 0.005 0.0441 0.0441
Brugia malayi p70 ribosomal S6 kinase beta 0.0054 0.0499 0.0499
Echinococcus multilocularis cyclin dependent kinase 5 0.0056 0.0521 0.164
Echinococcus granulosus p2X purinoceptor 4 0.0164 0.2023 0.6361
Echinococcus granulosus casein kinase I alpha 0.005 0.0441 0.1387
Loa Loa (eye worm) AGC/AKT protein kinase 0.0054 0.0499 0.0499
Trichomonas vaginalis AGC family protein kinase 0.0071 0.0733 0.4962
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0071 0.0733 0.5026
Giardia lamblia Kinase, NEK 0.0125 0.1477 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0063 0.0063
Echinococcus multilocularis casein kinase I delta 0.005 0.0441 0.1387
Loa Loa (eye worm) AGC/NDR protein kinase 0.0022 0.0063 0.0063
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0056 0.0521 0.6034
Echinococcus multilocularis p2X purinoceptor 4 0.0164 0.2023 0.6361
Trichomonas vaginalis STE family protein kinase 0.0024 0.0089 0.0605
Trypanosoma cruzi casein kinase, delta isoform, putative 0.005 0.0441 0.3602
Echinococcus granulosus Protein kinase C brain isozyme 0.0022 0.0063 0.0198
Trichomonas vaginalis AGC family protein kinase 0.0125 0.1477 1
Brugia malayi casein kinase 1, delta 0.005 0.0441 0.0441
Echinococcus granulosus casein kinase I alpha 0.005 0.0441 0.1387
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0024 0.0089 0.0281
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0071 0.0733 0.4175
Entamoeba histolytica cell division protein kinase 2, putative 0.0056 0.0521 0.3575
Trichomonas vaginalis CK1 family protein kinase 0.005 0.0441 0.2985
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0024 0.0089 0.0281
Echinococcus granulosus p2X purinoceptor 4 0.0164 0.2023 0.6361
Schistosoma mansoni protein kinase 0.0024 0.0089 0.0089
Plasmodium falciparum NIMA related kinase 1 0.0125 0.1477 1
Schistosoma mansoni serine/threonine protein kinase 0.005 0.0441 0.0441
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.02 0.0627
Echinococcus multilocularis serine:threonine protein kinase 38 0.0022 0.0063 0.0198
Echinococcus granulosus tyrosine protein kinase ABL1 0.0247 0.318 1
Schistosoma mansoni atypical protein kinase C 0.0022 0.0063 0.0063
Loa Loa (eye worm) TK/ABL protein kinase 0.0247 0.318 0.318
Echinococcus multilocularis casein kinase I alpha 0.005 0.0441 0.1387
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0499 0.3377
Schistosoma mansoni P2X receptor subunit 0.0164 0.2023 0.2023
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0032 0.02 0.0627
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0499 0.3377
Entamoeba histolytica protein kinase, putative 0.0123 0.1459 1
Loa Loa (eye worm) AUR protein kinase 0.0071 0.0733 0.0733
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0056 0.0521 0.0521
Giardia lamblia Kinase, NEK 0.0125 0.1477 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0032 0.02 0.0627
Toxoplasma gondii aurora kinase 0.0071 0.0733 0.4175
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0032 0.02 0.0627
Entamoeba histolytica protein kinase domain containing protein 0.0071 0.0733 0.5026
Trypanosoma cruzi cdc2-related kinase 3 0.0056 0.0521 0.5365
Trichomonas vaginalis CK1 family protein kinase 0.005 0.0441 0.2985
Trypanosoma brucei casein kinase I, isoform 2 0.005 0.0441 0.4526
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0056 0.0521 0.6034
Giardia lamblia Kinase, CMGC CDK 0.0056 0.0521 0.3113
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0063 0.0063
Entamoeba histolytica protein kinase, putative 0.0054 0.0499 0.3421
Entamoeba histolytica PH domain containing protein kinase, putative 0.0038 0.0277 0.1896
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0022 0.0063 0.0198
Echinococcus multilocularis serine threonine protein kinase 0.0123 0.1459 0.4587
Schistosoma mansoni serine/threonine-protein kinase 0.0038 0.0277 0.0277
Leishmania major casein kinase, putative 0.005 0.0441 0.4526
Giardia lamblia Kinase, NEK 0.0125 0.1477 1
Echinococcus multilocularis casein kinase I delta 0.005 0.0441 0.1387
Echinococcus multilocularis calcium dependent protein kinase 0.0026 0.011 0.0346
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0022 0.0063 0.0198
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0022 0.0063 0.0198
Trichomonas vaginalis STE family protein kinase 0.0123 0.1459 0.9872
Schistosoma mansoni serine/threonine protein kinase 0.0056 0.0521 0.0521
Loa Loa (eye worm) hypothetical protein 0.0049 0.0432 0.0432
Echinococcus granulosus casein kinase i 0.005 0.0441 0.1387
Echinococcus granulosus calcium dependent protein kinase 0.0026 0.011 0.0346
Entamoeba histolytica protein kinase, putative 0.0032 0.02 0.1368
Echinococcus multilocularis p2X purinoceptor 4 0.0164 0.2023 0.6361
Trichomonas vaginalis AGC family protein kinase 0.0071 0.0733 0.4962
Echinococcus granulosus tyrosine protein kinase Lyn 0.0024 0.0084 0.0265
Trichomonas vaginalis AGC family protein kinase 0.0054 0.0499 0.3377
Entamoeba histolytica protein kinase, putative 0.0032 0.02 0.1368
Echinococcus granulosus sodium:potassium dependent atpase beta subunit 0.0031 0.0187 0.0589
Schistosoma mansoni serine/threonine-protein kinase 0.0038 0.0277 0.0277
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0022 0.0063 0.0063
Trypanosoma brucei aurora B kinase 0.0071 0.0733 1
Plasmodium vivax serine/threonine-specific protein kinase, putative 0.0123 0.1459 0.9852
Echinococcus granulosus protein kinase c epsilon type 0.0022 0.0063 0.0198
Plasmodium falciparum protein kinase 5 0.0056 0.0521 0.2519
Schistosoma mansoni serine/threonine protein kinase 0.0071 0.0733 0.0733
Brugia malayi Cam kinase protein 1 0.0032 0.02 0.02
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0022 0.0063 0.0063

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Activity at human P2Y1 receptor at 10 uM ChEMBL. 17482819
Activity (binding) Activity at human P2Y2 receptor at 10 uM ChEMBL. 17482819
Activity (binding) Activity at human P2X1 receptor at 10 uM ChEMBL. 17482819
Activity (binding) Activity at human P2X4 receptor at 10 uM ChEMBL. 17482819
Activity (binding) 0 Activity at human P2X1 receptor at 10 uM ChEMBL. 17482819
Activity (functional) 0 Antagonist activity at human P2X2 receptor at 10 uM ChEMBL. 17482819
Activity (binding) 0 Activity at human P2X4 receptor at 10 uM ChEMBL. 17482819
Activity (binding) 0 Activity at human P2Y1 receptor at 10 uM ChEMBL. 17482819
Activity (binding) 0 Activity at human P2Y2 receptor at 10 uM ChEMBL. 17482819
Activity (binding) 0 Activity at human P2X2/3 receptor at 10 uM ChEMBL. 17482819
Activity (binding) = 86 % Activity at peripheral benzodiazepine receptor at 10 uM ChEMBL. 17482819
Activity (binding) = 86 % Activity at peripheral benzodiazepine receptor at 10 uM ChEMBL. 17482819
CL (ADMET) = 3.1 L/hr/kg Clearance in rat at 5 umol/kg, iv ChEMBL. 17482819
Cmax (ADMET) = 0.21 ug ml-1 Cmax in rat at 5 umol/kg, ip ChEMBL. 17482819
ED50 (functional) = 125 umol/Kg Antinociceptive activity in rat Chung model of neuropathic pain assessed as reversal of allodynia after 30 mins ChEMBL. 17482819
Efficacy (functional) = 68 % Antinociceptive activity in rat Chung model of neuropathic pain assessed as reversal of allodynia after 30 mins ChEMBL. 17482819
F (ADMET) = 15 % Oral bioavailability in rat at 5 umol/kg ChEMBL. 17482819
F (ADMET) = 62 % Bioavailability in ip dosed rat Chung model of neuropathic pain ChEMBL. 17482819
IC50 (functional) = -7.11 Antagonist activity at human recombinant P2X7 receptor ChEMBL. 17482819
IC50 (functional) = -6.68 Antagonist activity at rat recombinant P2X7 receptor ChEMBL. 17482819
IC50 (functional) = -6.43 Inhibition of IL1beta release from THP1 cells ChEMBL. 17482819
IC50 (functional) = 6.68 Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP-induced calcium flux by FLIPR assay ChEMBL. 18272366
IC50 (functional) = 6.68 Antagonist activity at rat recombinant P2X7 receptor expressed in HEK293 cells assessed as inhibition of benzoylbenzoic ATP-induced calcium production by FLIPR assay ChEMBL. 21536435
IC50 (binding) = 6.7 Activity at rat P2X7 receptor expressed in HEK cells assessed as effect on BzATP-induced ethidium uptake ChEMBL. 19191585
IC50 (functional) = 7.1 Antagonist activity at P2X7 receptor in human THP1 cells assessed as inhibition of BzATP-induced ethidium uptake ChEMBL. 19191585
IC50 (functional) = 7.11 Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP-induced calcium flux by FLIPR assay ChEMBL. 18272366
IC50 (functional) = 7.11 Antagonist activity at human recombinant P2X7 receptor expressed in HEK293 cells assessed as inhibition of benzoylbenzoic ATP-induced calcium production by FLIPR assay ChEMBL. 21536435
IC50 (binding) = 7.11 Antagonist activity at P2X7 receptor (unknown origin) ChEMBL. 24314880
Log IC50 (functional) = 6.43 Inhibition of IL1beta release from THP1 cells ChEMBL. 17482819
Log IC50 (functional) = 6.68 Antagonist activity at rat recombinant P2X7 receptor ChEMBL. 17482819
Log IC50 (functional) = 6.68 Antagonist activity at rat recombinant P2X7 receptor assessed as inhibition of BzATP-induced calcium flux by FLIPR assay ChEMBL. 18272366
Log IC50 (functional) = 7.11 Antagonist activity at human recombinant P2X7 receptor ChEMBL. 17482819
Log IC50 (functional) = 7.11 Antagonist activity at human recombinant P2X7 receptor assessed as inhibition of BzATP-induced calcium flux by FLIPR assay ChEMBL. 18272366
t1/2 (ADMET) = 1.7 hr Half life in ip dosed rat Chung model of neuropathic pain ChEMBL. 17482819
Tmax (ADMET) = 0.33 hr Tmax in rat at 5 umol/kg, ip ChEMBL. 17482819
Vd (ADMET) = 1.9 L/Kg Volume of distribution at terminal phase in rat at 5 umol/kg, iv ChEMBL. 17482819

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17482819

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

5 literature references were collected for this gene.

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