Detailed information for compound 451714

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 566.857 | Formula: C25H17BrClN5O2S
  • H donors: 2 H acceptors: 3 LogP: 6.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Oc1ccc(cc1)/C=N/NCc1nc2ccc(cc2c(=O)n1c1scc(n1)c1ccc(cc1)Cl)Br
  • InChi: 1S/C25H17BrClN5O2S/c26-17-5-10-21-20(11-17)24(34)32(25-31-22(14-35-25)16-3-6-18(27)7-4-16)23(30-21)13-29-28-12-15-1-8-19(33)9-2-15/h1-12,14,29,33H,13H2/b28-12+
  • InChiKey: CCUTYPAEOFYDRU-KVSWJAHQSA-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
Trypanosoma brucei THT1 - hexose transporter, putative 0.0072 0.0498 0.8107
Plasmodium vivax calcium-dependent protein kinase, putative 0.0072 0.0494 0.0409
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.007 0.0474 0.1855
Loa Loa (eye worm) hypothetical protein 0.0057 0.0338 0.0776
Echinococcus multilocularis General substrate transporter 0.02 0.1824 0.5335
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0052 0.0288 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0072 0.0493 0.1226
Plasmodium falciparum calcium-dependent protein kinase 5 0.0072 0.0494 0.0409
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0081 0.0594 1
Plasmodium falciparum lysine--tRNA ligase 0.0052 0.0288 0.0201
Entamoeba histolytica protein kinase, putative 0.0072 0.0493 1
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.007 0.0474 1
Schistosoma mansoni hypothetical protein 0.0166 0.1468 0.6646
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0072 0.0494 0.0625
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0072 0.0493 0.1372
Plasmodium falciparum protein kinase 5 0.0049 0.0257 0.017
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0072 0.0493 0.1372
Plasmodium vivax hexose transporter 0.0233 0.2163 0.2093
Brugia malayi cell division control protein 2 homolog 0.0049 0.0257 0.0394
Trypanosoma brucei glucose transporter, putative 0.0072 0.0498 0.8107
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.0109 0.0096
Schistosoma mansoni lysyl-tRNA synthetase 0.0052 0.0288 0.0961
Echinococcus granulosus cyclin dependent kinase 5 0.0049 0.0257 0.0509
Schistosoma mansoni hypothetical protein 0.0166 0.1468 0.6646
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Trypanosoma brucei glucose transporter, putative 0.0072 0.0498 0.8107
Echinococcus granulosus General substrate transporter 0.02 0.1824 0.5256
Echinococcus granulosus pyruvate kinase 0.0035 0.0109 0.0061
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0257 0.081
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0072 0.0493 0.1226
Loa Loa (eye worm) major facilitator superfamily transporter 0.0033 0.0089 0.0204
Trypanosoma brucei cdc2-related kinase 1 0.0049 0.0257 0.333
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0052 0.0288 0.0961
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.007 0.0474 0.1855
Schistosoma mansoni lipoxygenase 0.0057 0.0344 0.1231
Trypanosoma brucei pyruvate kinase 1 0.0035 0.0109 0.0396
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0081 0.0594 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0072 0.0493 0.1226
Leishmania major glucose transporter/membrane transporter D2, putative 0.0072 0.0498 0.8107
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.007 0.0474 0.0903
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0049 0.0257 0.059
Entamoeba histolytica protein kinase, putative 0.0072 0.0493 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0233 0.2163 0.6285
Onchocerca volvulus 0.0443 0.435 1
Schistosoma mansoni glucose transport protein 0.0233 0.2163 1
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0282 0.0932
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0233 0.2163 0.6346
Schistosoma mansoni protein kinase 0.0072 0.0493 0.1951
Loa Loa (eye worm) hypothetical protein 0.0443 0.435 1
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0072 0.0494 0.0409
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Loa Loa (eye worm) hypothetical protein 0.0072 0.0493 0.1134
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Entamoeba histolytica cell division protein kinase 2, putative 0.0049 0.0257 0.5205
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0033 0.0089 0.0166
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0029 0.0047 0.0107
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0052 0.0288 0.4918
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0049 0.0257 0.059
Mycobacterium ulcerans pyruvate kinase 0.0035 0.0109 0.366
Echinococcus granulosus calcium dependent protein kinase 0.0067 0.0443 0.1072
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.0498 0.1973
Plasmodium falciparum proline--tRNA ligase 0.0081 0.0594 0.0509
Trypanosoma cruzi cdc2-related kinase 3 0.0049 0.0257 0.333
Echinococcus multilocularis pyruvate kinase 0.0035 0.0109 0.0226
Plasmodium falciparum protein kinase 7 0.0657 0.6575 0.6544
Trypanosoma brucei glucose transporter, putative 0.0072 0.0498 0.8107
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0233 0.2163 0.6346
Trypanosoma cruzi hexose transporter 0.0072 0.0498 0.8107
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0072 0.0493 0.1226
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0049 0.0257 0.333
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0072 0.0493 0.1134
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0072 0.0493 0.8017
Schistosoma mansoni protein kinase 0.0072 0.0493 0.1951
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0109 0.0047
Trypanosoma brucei glucose transporter, putative 0.0072 0.0498 0.8107
Mycobacterium ulcerans integral membrane transport protein 0.0033 0.0089 0.2954
Loa Loa (eye worm) hypothetical protein 0.0052 0.0288 0.0662
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0233 0.2163 0.6285
Leishmania major lysyl-tRNA synthetase, putative 0.0052 0.0288 0.395
Echinococcus granulosus cyclin dependent kinase 1 0.0049 0.0257 0.0509
Echinococcus granulosus geminin 0.0166 0.1468 0.4177
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0052 0.0288 0.395
Loa Loa (eye worm) major facilitator superfamily transporter 0.0033 0.0089 0.0204
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.0344 0.0774
Echinococcus granulosus pyruvate kinase 0.0035 0.0109 0.0061
Giardia lamblia Lysyl-tRNA synthetase 0.0052 0.0288 0.5182
Trypanosoma cruzi cdc2-related kinase 1 0.0049 0.0257 0.333
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0044 0.0207 1
Trypanosoma brucei glucose transporter 2A 0.0072 0.0498 0.8107
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.007 0.0474 0.9597
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0233 0.2163 0.6285
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Entamoeba histolytica hypothetical protein 0.0052 0.0288 0.584
Loa Loa (eye worm) hypothetical protein 0.0035 0.0109 0.025
Loa Loa (eye worm) sugar transporter 0.0233 0.2163 0.4973
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0072 0.0493 0.1134
Toxoplasma gondii protein kinase, putative 0.0657 0.6575 1
Plasmodium falciparum mitogen-activated protein kinase 2 0.0376 0.3655 0.3598
Trichomonas vaginalis conserved hypothetical protein 0.0072 0.0498 0.1973
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0044 0.0207 0.2692
Plasmodium falciparum calcium-dependent protein kinase 2 0.0072 0.0494 0.0409
Brugia malayi hypothetical protein 0.0443 0.435 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0072 0.0498 0.8107
Brugia malayi Sugar transporter family protein 0.0233 0.2163 0.4868
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0109 0.025
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0072 0.0494 0.0625
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0109 0.025
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0233 0.2163 0.6346
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0376 0.3655 0.3598
Trypanosoma brucei glucose transporter, putative 0.0072 0.0498 0.8107
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0046 0.0222 0.0641
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0081 0.0594 1
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0376 0.3655 0.5499
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0109 0.0047
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0081 0.0594 0.0778
Trypanosoma cruzi cdc2-related kinase 3 0.0049 0.0257 0.333
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0049 0.0257 0.0259
Plasmodium falciparum hexose transporter 0.0233 0.2163 0.2093
Trypanosoma brucei glucose transporter, putative 0.0072 0.0498 0.8107
Trichomonas vaginalis sugar transporter, putative 0.0072 0.0498 0.1973
Echinococcus granulosus cyclin dependent kinase 0.0049 0.0257 0.0509
Trichomonas vaginalis glucose transporter, putative 0.0072 0.0498 0.1973
Chlamydia trachomatis pyruvate kinase 0.0035 0.0109 0.366
Schistosoma mansoni protein kinase 0.0072 0.0493 0.1951
Loa Loa (eye worm) pyruvate kinase 0.0035 0.0109 0.025
Onchocerca volvulus 0.0051 0.0282 0.0454
Onchocerca volvulus Pyruvate kinase homolog 0.0035 0.0109 0.0047
Leishmania major pyruvate kinase 0.0035 0.0109 0.0396
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0033 0.0089 0.2954
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.007 0.0474 0.1166
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0257 0.081
Plasmodium vivax proline--tRNA ligase, putative 0.0081 0.0594 0.0509
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0109 0.0396
Trypanosoma brucei glucose transporter, putative 0.0072 0.0498 0.8107
Brugia malayi lysyl-tRNA synthetase 0.0052 0.0288 0.0468
Trypanosoma brucei cdc2-related kinase 3 0.0049 0.0257 0.333
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0049 0.0257 0.059
Mycobacterium ulcerans sugar transporter 0.0033 0.0089 0.2954
Leishmania major glucose transporter, lmgt2 0.0072 0.0498 0.8107
Leishmania major glucose transporter, lmgt1 0.0072 0.0498 0.8107
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0233 0.2163 0.6285
Loa Loa (eye worm) hypothetical protein 0.007 0.0474 0.1089
Trypanosoma cruzi hexose transporter, putative 0.0072 0.0498 0.8107
Echinococcus multilocularis Protein lozenge 0.0056 0.0327 0.0874
Trypanosoma cruzi hexose transporter, putative 0.0039 0.0159 0.1383
Trypanosoma cruzi pyruvate kinase 2, putative 0.0035 0.0109 0.0396
Trypanosoma brucei glucose transporter, putative 0.0072 0.0498 0.8107
Loa Loa (eye worm) hypothetical protein 0.0051 0.0282 0.0649
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Schistosoma mansoni serine/threonine protein kinase 0.0049 0.0257 0.081
Echinococcus multilocularis cyclin dependent kinase 1 0.0049 0.0257 0.0667
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0035 0.0109 0.1691
Plasmodium falciparum calcium-dependent protein kinase 3 0.0072 0.0494 0.0409
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.007 0.0474 0.1855
Giardia lamblia Pyruvate kinase 0.0035 0.0109 0.0519
Brugia malayi Cam kinase protein 1 0.0072 0.0493 0.095
Entamoeba histolytica cell division protein kinase 2, putative 0.0049 0.0257 0.5205
Plasmodium falciparum calcium-dependent protein kinase 1 0.0072 0.0494 0.0409
Loa Loa (eye worm) hypothetical protein 0.007 0.0474 0.1089
Leishmania major glucose transporter, lmgt3 0.0072 0.0498 0.8107
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0072 0.0493 0.1372
Echinococcus multilocularis lysyl tRNA synthetase 0.0052 0.0288 0.076
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.007 0.0474 0.0903
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0257 0.081
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0044 0.0207 1
Trypanosoma cruzi cdc2-related kinase 1 0.0049 0.0257 0.333
Leishmania major protein kinase, putative 0.0072 0.0493 0.8017
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Echinococcus multilocularis solute carrier family 22 0.0033 0.0089 0.0166
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0072 0.0494 0.0625
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0052 0.0288 0.395
Toxoplasma gondii pyruvate kinase PyK1 0.0035 0.0109 0.0031
Schistosoma mansoni glucose transport protein 0.0233 0.2163 1
Echinococcus multilocularis pyruvate kinase 0.0035 0.0109 0.0226
Trypanosoma cruzi hexose transporter, putative 0.0072 0.0498 0.8107
Plasmodium vivax lysine--tRNA ligase, putative 0.0052 0.0288 0.0201
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.0344 0.0927
Trichomonas vaginalis conserved hypothetical protein 0.0233 0.2163 1
Chlamydia trachomatis lysine--tRNA ligase 0.0052 0.0288 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Trichomonas vaginalis glucose transporter, putative 0.0072 0.0498 0.1973
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0049 0.0257 0.333
Echinococcus multilocularis cyclin dependent kinase 5 0.0049 0.0257 0.0667
Toxoplasma gondii lysine-tRNA ligase 0.0052 0.0288 0.0307
Trichomonas vaginalis CMGC family protein kinase 0.0049 0.0257 0.081
Brugia malayi Pyruvate kinase, M2 isozyme 0.0035 0.0109 0.0047
Loa Loa (eye worm) hypothetical protein 0.0443 0.435 1
Echinococcus multilocularis solute carrier family 22 0.0033 0.0089 0.0166
Plasmodium vivax pyruvate kinase, putative 0.0035 0.0109 0.002
Trichomonas vaginalis sugar transporter, putative 0.0072 0.0498 0.1973
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Giardia lamblia Kinase, CMGC CDK 0.0049 0.0257 0.4369
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0052 0.0288 1
Plasmodium vivax protein kinase Crk2 0.0049 0.0257 0.017
Schistosoma mansoni serine/threonine protein kinase 0.0072 0.0493 0.1951
Loa Loa (eye worm) hypothetical protein 0.0044 0.0206 0.0473
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0072 0.0494 0.0409
Trypanosoma cruzi hexose transporter, putative 0.0072 0.0498 0.8107
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.007 0.0474 0.1312
Plasmodium falciparum calcium-dependent protein kinase 4 0.0072 0.0494 0.0409
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0081 0.0594 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0072 0.0498 0.8107
Toxoplasma gondii facilitative glucose transporter GT1 0.0233 0.2163 0.3199
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0072 0.0494 0.0409
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Giardia lamblia Kinase, CMGC CDK 0.0049 0.0257 0.4369
Brugia malayi Protein kinase domain containing protein 0.0049 0.0257 0.0394
Echinococcus multilocularis cyclin dependent kinase 0.0049 0.0257 0.0667
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0072 0.0493 0.095
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Echinococcus granulosus lysyl tRNA synthetase 0.0052 0.0288 0.0604
Echinococcus multilocularis cyclin dependent kinase 1 0.0049 0.0257 0.0667
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0233 0.2163 0.6346
Trypanosoma brucei pyruvate kinase 1, putative 0.0035 0.0109 0.0396
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Trichomonas vaginalis sugar transporter, putative 0.0072 0.0498 0.1973
Trypanosoma brucei glucose transporter 1E 0.0072 0.0498 0.8107
Echinococcus multilocularis synaptic vesicle 2 protein 0.0033 0.0089 0.0166
Echinococcus multilocularis tumor protein p63 0.0351 0.339 1
Leishmania major pyruvate kinase 0.0035 0.0109 0.0396
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0033 0.0089 0.2954
Loa Loa (eye worm) hypothetical protein 0.0033 0.0089 0.0204
Schistosoma mansoni hypothetical protein 0.0233 0.2163 1
Schistosoma mansoni pyruvate kinase 0.0035 0.0109 0.0096
Giardia lamblia Prolyl-tRNA synthetase 0.007 0.0474 1
Plasmodium vivax CDK-related protein kinase 6, putative 0.0987 1 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0049 0.0257 0.0509
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0033 0.0089 0.5
Treponema pallidum prolyl-tRNA synthetase 0.0025 0.0005 0.5
Brugia malayi Pyruvate kinase, muscle isozyme 0.0035 0.0109 0.0047
Trichomonas vaginalis CAMK family protein kinase 0.0072 0.0493 0.1951
Schistosoma mansoni glucose transport protein 0.0233 0.2163 1
Plasmodium falciparum pyruvate kinase 0.0035 0.0109 0.002
Trichomonas vaginalis pyruvate kinase, putative 0.0035 0.0109 0.0096
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0081 0.0594 1
Echinococcus multilocularis calcium dependent protein kinase 0.0067 0.0443 0.1221
Loa Loa (eye worm) sugar transporter 0.0033 0.0089 0.0204
Echinococcus multilocularis geminin 0.0166 0.1468 0.4274
Echinococcus granulosus tumor protein p63 0.0351 0.339 1
Echinococcus multilocularis solute carrier family 22 0.0033 0.0089 0.0166
Schistosoma mansoni pyruvate kinase 0.0035 0.0109 0.0096
Echinococcus multilocularis solute carrier family 22 0.0033 0.0089 0.0166
Schistosoma mansoni lozenge 0.0056 0.0327 0.1146
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0072 0.0493 0.1372
Schistosoma mansoni lysyl-tRNA synthetase 0.0052 0.0288 0.0961
Loa Loa (eye worm) runx1 0.0056 0.0327 0.0751

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 18.96 % Analgesic activity in Albino mouse assessed as number of acetic acid-induced writhing at 50 mg/kg, po after 30 min ChEMBL. 17317192
Activity (functional) = 18.96 % Analgesic activity in Albino mouse assessed as number of acetic acid-induced writhing at 50 mg/kg, po after 30 min ChEMBL. 17317192
Activity (functional) = 20.23 % Antiinflammatory activity against carrageenan-induced hind paw oedema in Charles foster rat assessed as inhibition of paw oedema at 50 mg/kg, po after 1 hr ChEMBL. 17317192
ALD50 (ADMET) > 1000 mg kg-1 Acute toxicity in albino mouse assessed as percent mortatality after 24 hrs ChEMBL. 17317192
ALD50 (ADMET) > 1000 mg kg-1 Acute toxicity in albino mouse assessed as percent mortatality after 24 hrs ChEMBL. 17317192

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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