Detailed information for compound 86506

Basic information

Technical information
  • TDR Targets ID: 86506
  • Name: N-(2-dimethylaminoethyl)-5-methoxyacridine-4- carboxamide
  • MW: 323.389 | Formula: C19H21N3O2
  • H donors: 1 H acceptors: 2 LogP: 3.18 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc2c1nc1c(c2)cccc1C(=NCCN(C)C)O
  • InChi: 1S/C19H21N3O2/c1-22(2)11-10-20-19(23)15-8-4-6-13-12-14-7-5-9-16(24-3)18(14)21-17(13)15/h4-9,12H,10-11H2,1-3H3,(H,20,23)
  • InChiKey: ZUBYFEFTGDBYAR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-dimethylaminoethyl)-5-methoxy-acridine-4-carboxamide
  • N-(2-dimethylaminoethyl)-5-methoxy-4-acridinecarboxamide
  • 106626-73-7
  • N-(2-(Dimethylamino)ethyl)-5-methoxy-4-acridinecarboxamide
  • 4-Acridinecarboxamide, N-(2-(dimethylamino)ethyl)-5-methoxy-

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
Loa Loa (eye worm) hypothetical protein 0.0052 0.0604 0.174
Trichomonas vaginalis set domain proteins, putative 0.0234 0.3343 0.8143
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0046 0.0511 0.0499
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0032 0.0293 0.1972
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4104 1
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.1042 0.2526
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1272 0.3089
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0206 0.2915 0.8475
Schistosoma mansoni hypothetical protein 0.0029 0.0252 0.024
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0109 0.025
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0066 0.0054
Giardia lamblia Casein kinase II beta chain 0.0044 0.0479 0.1153
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0252 0.0715
Echinococcus granulosus GPCR family 2 0.0031 0.0285 0.0274
Schistosoma mansoni blooms syndrome DNA helicase 0.0038 0.038 0.0369
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0285 0.0813
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.1272 1
Plasmodium falciparum casein kinase 2, alpha subunit 0.0082 0.1042 1
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.4104 1
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.0196 0.1272
Toxoplasma gondii CMGC kinase, CK2 family 0.0082 0.1042 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0257 0.0245
Trypanosoma cruzi casein kinase II, putative 0.0082 0.1042 0.8129
Schistosoma mansoni microtubule-associated protein tau 0.0675 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0285 0.0274
Schistosoma mansoni chromobox protein 0.007 0.0863 0.0852
Loa Loa (eye worm) CMGC/CK2 protein kinase 0.0082 0.1042 0.3017
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0493 0.1419
Brugia malayi jmjC domain containing protein 0.0096 0.1253 0.43
Loa Loa (eye worm) hypothetical protein 0.0042 0.0447 0.1285
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.1272 0.4365
Schistosoma mansoni hypothetical protein 0.0031 0.0285 0.0274
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.072 0.2081
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0511 0.0499
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0836 0.2867
Brugia malayi PHD-finger family protein 0.0029 0.0252 0.0863
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.016 0.5
Echinococcus granulosus bloom syndrome protein 0.0048 0.0532 0.052
Brugia malayi Bromodomain containing protein 0.0074 0.093 0.319
Loa Loa (eye worm) CHromoDomain protein family member 0.0013 0.0012 0.0016
Plasmodium falciparum casein kinase II beta chain 0.0044 0.0479 0.3969
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0044 0.0479 0.0735
Brugia malayi Heterochromatin protein 1 0.007 0.0863 0.2963
Schistosoma mansoni hypothetical protein 0.0337 0.4904 0.4898
Schistosoma mansoni hypothetical protein 0.0031 0.0285 0.0274
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0401 0.0963
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Brugia malayi CHD4 protein 0.0013 0.0012 0.0042
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0373 0.1068
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1272 0.3089
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.1051 0.104
Giardia lamblia PHD finger protein 15 0.0029 0.0252 0.0598
Trichomonas vaginalis chromobox protein, putative 0.007 0.0863 0.2091
Entamoeba histolytica casein kinase, putative 0.0082 0.1042 0.2526
Loa Loa (eye worm) hypothetical protein 0.0029 0.0252 0.0715
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.016 0.0978
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0066 0.0054
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0109 0.0097
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4104 1
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.1272 0.1262
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1272 0.3089
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.4104 1
Schistosoma mansoni zinc finger protein 0.0015 0.004 0.0027
Trypanosoma brucei Casein kinase II subunit beta, putative 0.0044 0.0479 0.3565
Brugia malayi F/Y-rich N-terminus family protein 0.0013 0 0.0001
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0702 0.069
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.1253 0.1243
Echinococcus granulosus casein kinase ii subunit alpha 0.0082 0.1042 0.1031
Plasmodium vivax casein kinase II beta chain, putative 0.0044 0.0479 0.3618
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0023 0.016 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0285 0.0274
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4104 1
Schistosoma mansoni hypothetical protein 0.0337 0.4904 0.4898
Brugia malayi Bromodomain containing protein 0.0032 0.0287 0.0985
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1272 0.3089
Leishmania major protein kinase ck2 regulatory subunit, putative 0.0044 0.0479 0.3565
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.4104 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0252 0.024
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0109 0.0373
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.1051 0.104
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0493 0.0482
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0109 0.0097
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0109 0.000000001452
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0109 0.0373
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0044 0.0479 0.1153
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0373 0.0361
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0373 0.0361
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.131 0.4493
Brugia malayi Pre-SET motif family protein 0.0206 0.2915 1
Echinococcus granulosus peregrin 0.0032 0.0287 0.0275
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0229 0.0543
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0702 0.069
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Schistosoma mansoni hypothetical protein 0.0031 0.0285 0.0274
Trypanosoma brucei polo-like protein kinase 0.0097 0.1272 1
Schistosoma mansoni jumonji domain containing protein 0.0076 0.0957 0.0946
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.016 0.055
Echinococcus multilocularis bloom syndrome protein 0.0048 0.0532 0.052
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.1272 0.1262
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0252 0.1531
Trichomonas vaginalis DNA helicase recq, putative 0.0048 0.0532 0.1282
Echinococcus granulosus histone lysine methyltransferase setb 0.0046 0.0511 0.0499
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.1272 0.1262
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0252 0.024
Plasmodium vivax casein kinase II beta chain, putative 0.0044 0.0479 0.3618
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1272 0.3089
Brugia malayi chromobox protein homolog 3 0.0039 0.0401 0.1376
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0252 0.024
Echinococcus granulosus zinc finger protein 0.0019 0.0103 0.0091
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0257 0.1584
Trichomonas vaginalis DNA helicase recq1, putative 0.0048 0.0532 0.1282
Loa Loa (eye worm) Csnk2b protein 0.0044 0.0479 0.1377
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0032 0.0299 0.1571
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Brugia malayi PHD-finger family protein 0.0025 0.0183 0.0627
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.1042 0.2526
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0285 0.0274
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.1042 0.2526
Loa Loa (eye worm) hypothetical protein 0.007 0.0866 0.2505
Loa Loa (eye worm) hypothetical protein 0.0068 0.0836 0.2416
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0229 0.0543
Entamoeba histolytica hypothetical protein 0.0023 0.016 0.0375
Entamoeba histolytica protein kinase domain containing protein 0.0082 0.1042 0.2526
Toxoplasma gondii ck2 beta subunit 0.0044 0.0479 0.3969
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0285 0.0979
Echinococcus multilocularis casein kinase ii subunit alpha 0.0082 0.1042 0.1031
Plasmodium vivax unspecified product 0.0082 0.1042 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.4104 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0401 0.0963
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0044 0.0479 0.1153
Loa Loa (eye worm) hypothetical protein 0.0149 0.2065 0.5998
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0066 0.0054
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0252 0.1531
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.1272 1
Echinococcus multilocularis GPCR, family 2 0.0031 0.0285 0.0274
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0109 0.0097
Loa Loa (eye worm) RecQ helicase 0.0048 0.0532 0.1531
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.1272 0.3689
Entamoeba histolytica recQ family helicase, putative 0.0026 0.0196 0.0463
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Loa Loa (eye worm) hypothetical protein 0.0039 0.0401 0.115
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4104 1
Schistosoma mansoni hypothetical protein 0.0068 0.0836 0.0824
Plasmodium falciparum casein kinase II beta chain 0.0044 0.0479 0.3969
Loa Loa (eye worm) hypothetical protein 0.0031 0.0274 0.0779
Echinococcus multilocularis chromobox protein 1 0.007 0.0863 0.0852
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0066 0.0054
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.1253 0.1243
Echinococcus multilocularis zinc finger protein 0.0019 0.0103 0.0091
Loa Loa (eye worm) hypothetical protein 0.024 0.3438 1
Echinococcus multilocularis geminin 0.0337 0.4904 0.4898
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0285 0.0979
Echinococcus granulosus casein kinase ii subunit beta 0.0044 0.0479 0.0467
Giardia lamblia Kinase, PLK 0.0097 0.1272 0.3089
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.016 0.0978
Onchocerca volvulus Casein kinase II subunit beta homolog 0.0044 0.0479 0.0735
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.1272 0.3089
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.131 0.3797
Brugia malayi Pre-SET motif family protein 0.0029 0.0257 0.088
Schistosoma mansoni chromobox protein 0.007 0.0863 0.0852
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.1051 0.3606
Schistosoma mansoni bromodomain containing protein 0.0063 0.0755 0.0744
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Echinococcus multilocularis peregrin 0.0032 0.0287 0.0275
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0148 0.0136
Onchocerca volvulus 0.0041 0.0429 0.0573
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.1042 0.2526
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Schistosoma mansoni DNA helicase recq1 0.002 0.0109 0.0097
Brugia malayi casein kinase II, putaitve 0.0013 0.0006 0.0022
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0044 0.0479 0.3565
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0446 0.1072
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.1051 0.104
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0493 0.0482
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1909 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.1272 0.3301
Schistosoma mansoni DNA helicase recq5 0.002 0.0109 0.0097
Schistosoma mansoni hypothetical protein 0.002 0.0119 0.0107
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.1042 0.2526
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1272 0.3089
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.1042 0.2526
Loa Loa (eye worm) heterochromatin protein 1 0.007 0.0863 0.2498
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0109 0.0298
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.024 0.0228
Echinococcus granulosus chromobox protein 1 0.007 0.0863 0.0852
Schistosoma mansoni hypothetical protein 0.0031 0.0285 0.0274
Echinococcus granulosus tumor protein p63 0.0359 0.5223 0.5217
Brugia malayi jmjC domain containing protein 0.0037 0.0373 0.1279
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0424 0.0412
Loa Loa (eye worm) hypothetical protein 0.004 0.0419 0.1202
Entamoeba histolytica casein kinase II regulatory subunit family protein 0.0044 0.0479 0.1153
Echinococcus multilocularis chromobox protein 1 0.007 0.0863 0.0852
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0493 0.0482
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0446 0.0628
Echinococcus multilocularis tumor protein p63 0.0359 0.5223 0.5217
Onchocerca volvulus 0.0082 0.1051 0.2586
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0424 0.0412
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0446 0.1072
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0252 0.1039
Loa Loa (eye worm) hypothetical protein 0.005 0.0566 0.1631
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.0196 0.1272
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.1272 0.3089
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0493 0.0482
Loa Loa (eye worm) hypothetical protein 0.0099 0.131 0.3797
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0075 0.0199
Plasmodium vivax casein kinase 2, alpha subunit, putative 0.0082 0.1042 1
Leishmania major casein kinase II, putative 0.0082 0.1042 0.8129
Brugia malayi Casein kinase II, alpha chain 0.0082 0.1042 0.3574
Schistosoma mansoni zinc finger protein 0.0019 0.0103 0.0091
Loa Loa (eye worm) hypothetical protein 0.0082 0.1051 0.3045
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0493 0.1693
Schistosoma mansoni hypothetical protein 0.0015 0.004 0.0027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0493 0.0482
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0046 0.0511 0.0499
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1909 1
Trichomonas vaginalis chromobox protein, putative 0.007 0.0863 0.2091
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0539 0.1299
Echinococcus granulosus chromobox protein 1 0.007 0.0863 0.0852
Trypanosoma cruzi Casein kinase II subunit beta, putative 0.0044 0.0479 0.3565
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Loa Loa (eye worm) hypothetical protein 0.002 0.0109 0.0298
Onchocerca volvulus 0.0234 0.3343 1
Plasmodium vivax SET domain protein, putative 0.0029 0.0257 0.1094
Toxoplasma gondii casein kinase ii regulatory subunit protein 0.0044 0.0479 0.3969
Onchocerca volvulus 0.0149 0.2065 0.5864
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4104 1
Brugia malayi Csnk2b protein 0.0044 0.0479 0.1643
Schistosoma mansoni protein kinase 0.0082 0.1042 0.1031
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0344 0.0333
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0373 0.0361
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4104 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.1272 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0285 0.0813
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0257 0.0245
Giardia lamblia Kinase, CMGC CK2 0.0082 0.1042 0.2526
Echinococcus granulosus geminin 0.0337 0.4904 0.4898
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0347 0.0336
Schistosoma mansoni casein kinase II beta subunit 0.0044 0.0479 0.0467
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0493 0.0482
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0604 0.0592
Loa Loa (eye worm) hypothetical protein 0.0038 0.0384 0.1099
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.016 0.055
Echinococcus multilocularis casein kinase ii subunit beta 0.0044 0.0479 0.0467
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.0196 0.1272
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.0539 0.1299
Echinococcus multilocularis microtubule associated protein 2 0.0675 1 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0285 0.0274
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0148 0.0136
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.016 0.055
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4104 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0493 0.0482
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1909 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0511 0.147
Onchocerca volvulus 0.0052 0.0604 0.1138
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.4104 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0347 0.0336
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0196 0.0463
Onchocerca volvulus 0.0031 0.0274 0.0071
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0148 0.0136
Schistosoma mansoni kinase 0.0049 0.0558 0.0547
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0042 0.0444 0.3597
Trichomonas vaginalis casein kinase II beta chain, putative 0.0044 0.0479 0.1153
Trypanosoma brucei Casein kinase II 0.0082 0.1042 0.8129
Trichomonas vaginalis CMGC family protein kinase 0.0082 0.1042 0.2526
Plasmodium falciparum phd finger protein, putative 0.0029 0.0252 0.1531
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0119 0.0328
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0109 0.0097
Brugia malayi Bromodomain containing protein 0.0038 0.0383 0.1312
Brugia malayi hypothetical protein 0.0149 0.2065 0.7083
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0401 0.0484
Brugia malayi Bloom's syndrome protein homolog 0.0048 0.0532 0.1825
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.131 0.4493
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.0429 0.0417

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 12 nM Inhibition murine leukemia L1210 cell growth in culture ChEMBL. 3560161
IC50 (functional) = 26 nM Inhibitory concentration required to reduce murine p388 leukemia cell number to 50% of control cultures ChEMBL. 9191970
IC50 (functional) = 26 nM Inhibitory concentration required to reduce murine p388 leukemia cell number to 50% of control cultures ChEMBL. 9191970
IC50 (functional) = 36 nM Inhibitory concentration required to reduce Lewis lung carcinoma cell number to 50% of control cultures ChEMBL. 9191970
IC50 (functional) = 111 nM Inhibitory concentration required to reduce human Jurkat leukemia (JLC sensitive, wild type) cell number to 50% of control cultures ChEMBL. 9191970
IC50 (functional) = 111 nM Inhibitory concentration required to reduce human Jurkat leukemia (JLC sensitive, wild type) cell number to 50% of control cultures ChEMBL. 9191970
IC50 (functional) = 180 nM Inhibition of human colon tumor (HCT-8) cell growth in culture ChEMBL. 3560161
ILS (functional) = 54 % Percentage increase in life span of tumor bearing animals compared to non treated, tumor-bearing controls when treated at the optimal dose of 45 mg/kg/day intraperitoneally ChEMBL. 3560161
ILS (functional) = 70 % Percentage increase in life span of tumor bearing animals compared to non treated, tumor-bearing controls when treated at the optimal dose of 65 mg/kg/day intraperitoneally ChEMBL. 3560161
Log K (binding) = 7.38 Binding constant to poly(dG-dC)DNA by ethidium bromide displacement ChEMBL. 3560161
Log K (binding) = 7.96 Binding constant to poly(dA-dT)DNA by ethidium bromide displacement ChEMBL. 3560161
pKa = 3.87 Base strength of the compound is expressed as pKa, determined in water at 25 degrees centigrade by spectrophotometric method. ChEMBL. 3560161
Ratio (functional) = 4.9 Ratio of IC50 of Jurkat leukemia amsacrine (JLA) to the IC50 of Jurkat leukemia (JLC sensitive, wild type) ChEMBL. 9191970
Ratio (functional) = 5.6 Ratio of IC50 of mutant Jurkat leukemia (JLD) to the IC50 of Jurkat leukemia (JLC sensitive, wild type) ChEMBL. 9191970
Ratio (functional) = 15 Selectivity ratio of IC50 of HCT to IC50 of L1210 cell lines ChEMBL. 3560161
Rm = -0.31 Lipophilicity index (Rm) (HPLC) ChEMBL. 3560161

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 9191970
Homo sapiens ChEMBL23 9191970

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

2 literature references were collected for this gene.

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