Detailed information for compound 1121956

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 413.3 | Formula: C21H18Cl2N4O
  • H donors: 0 H acceptors: 3 LogP: 5.69 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)Cl)Cc1nnc(o1)Cc1c(C)nn(c1C)c1ccccc1
  • InChi: 1S/C21H18Cl2N4O/c1-13-18(14(2)27(26-13)17-6-4-3-5-7-17)12-21-25-24-20(28-21)10-15-8-9-16(22)11-19(15)23/h3-9,11H,10,12H2,1-2H3
  • InChiKey: WJKANEBFGKYNDC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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

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 0.0011 0.0002 0.0004
Brugia malayi beta-lactamase 0.0189 0.1282 0.3499
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0015 0.0034 0.0033
Loa Loa (eye worm) hypothetical protein 0.0079 0.049 0.1339
Loa Loa (eye worm) hypothetical protein 0.0189 0.1282 0.3501
Giardia lamblia GTOR 0.0045 0.0251 1
Echinococcus multilocularis tar DNA binding protein 0.0521 0.3662 0.3661
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0251 0.0682
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0199 0.0757
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.0146 0.105
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0197 0.0197
Loa Loa (eye worm) beta-lactamase 0.0189 0.1282 0.3501
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0197 0.0195
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0072 0.0468
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0045 0.0251 0.0998
Loa Loa (eye worm) hypothetical protein 0.0189 0.1282 0.3501
Brugia malayi beta-lactamase family protein 0.0189 0.1282 0.3499
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0246 0.0974
Entamoeba histolytica hypothetical protein 0.0038 0.0197 0.784
Schistosoma mansoni tar DNA-binding protein 0.0521 0.3662 0.3662
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0063 0.0375 0.0374
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0002 0.0004
Mycobacterium ulcerans beta-lactamase 0.0189 0.1282 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0046 0.0257 0.0256
Brugia malayi Calcitonin receptor-like protein seb-1 0.0412 0.288 0.7863
Mycobacterium ulcerans lipase LipD 0.0189 0.1282 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0004
Trichomonas vaginalis D-aminoacylase, putative 0.0189 0.1282 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0189 0.1282 0.1282
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.015 0.1005 0.4468
Schistosoma mansoni P2X receptor subunit 0.0082 0.0514 0.0514
Schistosoma mansoni P2X receptor subunit 0.0082 0.0514 0.0514
Schistosoma mansoni hypothetical protein 0.013 0.086 0.086
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0079 0.0206
Loa Loa (eye worm) RecQ helicase 0.002 0.0072 0.0197
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0144 0.1034
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0015 0.0034 0.0033
Schistosoma mansoni lozenge 0.0057 0.0337 0.0337
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0199 0.0197
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0072 0.0562
Schistosoma mansoni thyroid hormone receptor 0.0143 0.0954 0.0954
Toxoplasma gondii target of rapamycin (TOR), putative 0.0034 0.0168 0.1307
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0168 0.1221
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.0251 0.0998
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.0146 0.0513
Brugia malayi beta-lactamase family protein 0.0189 0.1282 0.3499
Brugia malayi Inositol-1 0.0038 0.0199 0.0539
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0176 0.0176
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0176 0.0175
Schistosoma mansoni hypothetical protein 0.013 0.086 0.086
Brugia malayi MH2 domain containing protein 0.0117 0.0767 0.2091
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0767 0.2094
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0063 0.0375 0.0243
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0199 0.7921
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0246 0.0974
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0046 0.0257 0.0257
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0101 0.0695
Echinococcus granulosus p2X purinoceptor 4 0.0082 0.0514 0.0512
Brugia malayi hypothetical protein 0.0457 0.3209 0.8762
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.013 0.086 0.0859
Onchocerca volvulus 0.0189 0.1282 0.3993
Toxoplasma gondii aldehyde dehydrogenase 0.0063 0.0375 0.2927
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.012 0.0845
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0118 0.083
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0318 0.2207 1
Trypanosoma cruzi hypothetical protein, conserved 0.0189 0.1282 0.5744
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0045 0.0251 0.0251
Schistosoma mansoni P2X receptor subunit 0.0082 0.0514 0.0514
Leishmania major mitochondrial DNA polymerase beta 0.0318 0.2207 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.1282 0.3501
Toxoplasma gondii ABC1 family protein 0.0189 0.1282 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0063 0.0375 0.1569
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0122 0.0805 0.0803
Echinococcus multilocularis p2X purinoceptor 4 0.0082 0.0514 0.0512
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0045 0.0251 0.0998
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0004
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0072 0.0173
Mycobacterium tuberculosis Conserved protein 0.0189 0.1282 0.132
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0246 0.0974
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.0146 0.0513
Echinococcus granulosus methyl CpG binding domain protein 2 0.0035 0.0176 0.0175
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0101 0.0698
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0168 0.1221
Brugia malayi TAR-binding protein 0.0521 0.3662 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.0457 0.3209 0.8762
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0036 0.0185 0.0692
Schistosoma mansoni inositol monophosphatase 0.0038 0.0199 0.0199
Mycobacterium tuberculosis Probable lipase LipE 0.0189 0.1282 0.132
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0767 0.2094
Brugia malayi Bromodomain containing protein 0.0079 0.0489 0.1332
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0199 0.1551
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0251 0.0686
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.015 0.1005 0.4468
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0002 0.0002
Plasmodium falciparum flap endonuclease 1 0.0031 0.0146 1
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.0146 0.1137
Treponema pallidum ATP-dependent DNA helicase 0.001 0 0.5
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0072 0.0071
Mycobacterium leprae Probable lipase LipE 0.0189 0.1282 1
Loa Loa (eye worm) TAR-binding protein 0.0521 0.3662 1
Brugia malayi hypothetical protein 0.0038 0.0197 0.0534
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0036 0.0185 0.0692
Loa Loa (eye worm) hypothetical protein 0.0084 0.0525 0.1434
Loa Loa (eye worm) PHD-finger family protein 0.0042 0.0229 0.0625
Brugia malayi latrophilin 2 splice variant baaae 0.0281 0.1945 0.5309
Schistosoma mansoni hypothetical protein 0.013 0.086 0.086
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0045 0.0251 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.012 0.0845
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0184 0.1354
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0034 0.0172
Schistosoma mansoni hypothetical protein 0.0038 0.0197 0.0197
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0072 0.0071
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0002 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0251 0.1879
Schistosoma mansoni zinc finger protein 0.0031 0.015 0.015
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.0454 0.0453
Schistosoma mansoni P2X receptor subunit 0.0082 0.0514 0.0514
Mycobacterium tuberculosis Possible penicillin-binding protein 0.1208 0.8596 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.013 0.086 0.2348
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0199 0.0757
Schistosoma mansoni bromodomain containing protein 0.013 0.0857 0.0857
Schistosoma mansoni zinc finger protein 0.004 0.0213 0.0213
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0002 0.0002
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0189 0.1282 0.132
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0122 0.0805 0.0803
Schistosoma mansoni thyroid hormone receptor 0.0143 0.0954 0.0954
Schistosoma mansoni tar DNA-binding protein 0.0521 0.3662 0.3662
Brugia malayi RNA recognition motif domain containing protein 0.0521 0.3662 1
Entamoeba histolytica recQ family helicase, putative 0.002 0.0072 0.2868
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0375 0.1628
Trypanosoma brucei hypothetical protein, conserved 0.0189 0.1282 0.5744
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0184 0.1354
Schistosoma mansoni tar DNA-binding protein 0.0521 0.3662 0.3662
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0318 0.2207 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0045 0.0251 0.0998
Schistosoma mansoni methyl-cpg binding protein mbd 0.0035 0.0176 0.0176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0184 0.1354
Loa Loa (eye worm) bromodomain containing protein 0.0036 0.0185 0.0506
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0375 0.0375
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0035 0.0176 0.0175
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0168 0.1221
Loa Loa (eye worm) hypothetical protein 0.0035 0.0176 0.0481
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0054 0.0316 0.1297
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.013 0.086 0.0859
Echinococcus multilocularis microtubule associated protein 2 0.1403 1 1
Brugia malayi Latrophilin receptor protein 2 0.013 0.086 0.2345
Schistosoma mansoni hypothetical protein 0.0133 0.0877 0.0877
Echinococcus granulosus bloom syndrome protein 0.002 0.0072 0.0071
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0412 0.288 0.7863
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.0203 0.1503
Loa Loa (eye worm) hypothetical protein 0.0189 0.1282 0.3501
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0199 0.1468
Schistosoma mansoni coup transcription factor 0.0011 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0412 0.288 0.7864
Mycobacterium tuberculosis Probable lipase LipD 0.0189 0.1282 0.132
Loa Loa (eye worm) hypothetical protein 0.0189 0.1282 0.3501
Echinococcus granulosus zinc finger protein 0.004 0.0213 0.0212
Onchocerca volvulus 0.0189 0.1282 0.3993
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0246 0.0974
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0199 0.0757
Echinococcus granulosus tar DNA binding protein 0.0521 0.3662 0.3661
Trichomonas vaginalis esterase, putative 0.0189 0.1282 1
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0072 0.0468
Leishmania major hypothetical protein, conserved 0.0031 0.015 0.0534
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0002 0.0004
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0072 0.0197
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.013 0.086 0.0859
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0045 0.0251 0.0998
Mycobacterium tuberculosis Probable esterase LipL 0.0189 0.1282 0.132
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0168 0.1221
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0199 0.0757
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0072 0.0193
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0101 0.0695
Echinococcus granulosus GPCR family 2 0.013 0.086 0.0859
Mycobacterium tuberculosis Probable hydrolase 0.0189 0.1282 0.132
Schistosoma mansoni inositol monophosphatase 0.0038 0.0199 0.0199
Echinococcus multilocularis GPCR, family 2 0.013 0.086 0.0859
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0375 0.1628
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0168 0.1221
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0318 0.2207 1
Schistosoma mansoni DNA helicase recq5 0.002 0.0072 0.0072
Mycobacterium ulcerans hypothetical protein 0.0167 0.1127 0.8566
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0251 0.1879
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0189 0.1282 1
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0072 0.0071
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0133 0.0877 0.0876
Schistosoma mansoni tar DNA-binding protein 0.0521 0.3662 0.3662
Echinococcus granulosus fetal alzheimer antigen falz 0.0046 0.0257 0.0256
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0072 0.0173
Loa Loa (eye worm) hypothetical protein 0.0088 0.0553 0.1511
Trichomonas vaginalis penicillin-binding protein, putative 0.0189 0.1282 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0072 0.0562
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0168 0.1221
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0002 0.0002
Brugia malayi Flap endonuclease-1 0.0031 0.0146 0.0394
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0118 0.083
Loa Loa (eye worm) phosphatidylinositol 3 0.0015 0.0034 0.0094
Echinococcus multilocularis bloom syndrome protein 0.002 0.0072 0.0071
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0045 0.0251 1
Schistosoma mansoni tar DNA-binding protein 0.0521 0.3662 0.3662
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0176 0.0175
Loa Loa (eye worm) runx1 0.0057 0.0337 0.092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0101 0.0698
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0101 0.0695
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0189 0.1282 0.1282
Echinococcus granulosus p2X purinoceptor 4 0.0082 0.0514 0.0512
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0184 0.1354
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0034 0.0172
Trichomonas vaginalis D-aminoacylase, putative 0.0189 0.1282 1
Echinococcus multilocularis Protein lozenge 0.0057 0.0337 0.0336
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0133 0.0877 0.0876
Echinococcus granulosus beta LACTamase domain containing family member 0.0189 0.1282 0.1281
Loa Loa (eye worm) RNA binding protein 0.0521 0.3662 1
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.0146 0.4121
Mycobacterium ulcerans hypothetical protein 0.0189 0.1282 1
Loa Loa (eye worm) inositol-1 0.0038 0.0199 0.0543
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0072 0.0193
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0002 0.0002
Schistosoma mansoni flap endonuclease-1 0.0028 0.0125 0.0125
Loa Loa (eye worm) hypothetical protein 0.002 0.0072 0.0197
Brugia malayi Bromodomain containing protein 0.0154 0.103 0.2809
Echinococcus multilocularis zinc finger protein 0.004 0.0213 0.0212
Mycobacterium tuberculosis Conserved protein 0.0189 0.1282 0.132
Schistosoma mansoni hypothetical protein 0.013 0.086 0.086
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0176 0.0176
Schistosoma mansoni hypothetical protein 0.0281 0.1945 0.1945
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0002 0.0002
Trypanosoma brucei ISWI complex protein 0.0031 0.015 0.0534
Echinococcus multilocularis thyroid hormone receptor alpha 0.0143 0.0954 0.0952
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0521 0.3662 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0189 0.1282 0.132
Schistosoma mansoni DNA helicase recq1 0.002 0.0072 0.0072
Mycobacterium tuberculosis Conserved hypothetical protein 0.0167 0.1127 0.1135
Schistosoma mansoni aldehyde dehydrogenase 0.0063 0.0375 0.0375
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0189 0.1282 0.3501
Loa Loa (eye worm) hypothetical protein 0.0457 0.3209 0.8762
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0199 0.1468
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0199 0.0197
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0015 0.0034 0.0034
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.012 0.0845
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0072 0.0173
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.013 0.086 0.2348
Trypanosoma cruzi hypothetical protein, conserved 0.0189 0.1282 0.5744
Plasmodium vivax hypothetical protein, conserved 0.0189 0.1282 1
Onchocerca volvulus 0.0189 0.1282 0.3993
Mycobacterium leprae conserved hypothetical protein 0.0189 0.1282 1
Brugia malayi RNA binding protein 0.0521 0.3662 1
Trichomonas vaginalis D-aminoacylase, putative 0.0189 0.1282 1
Echinococcus multilocularis p2X purinoceptor 4 0.0082 0.0514 0.0512
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.0168 0.1221
Echinococcus multilocularis p2X purinoceptor 4 0.0082 0.0514 0.0512
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0002 0.0002
Entamoeba histolytica Flap nuclease, putative 0.0031 0.0146 0.5807
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0101 0.0698
Trypanosoma cruzi ISWI complex protein 0.0031 0.015 0.0534
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0199 0.1468
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0034 0.0172
Trypanosoma cruzi ISWI complex protein 0.0031 0.015 0.0534
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0002 0.0004
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0004
Mycobacterium ulcerans aldehyde dehydrogenase 0.0063 0.0375 0.1628
Mycobacterium ulcerans esterase/lipase LipP 0.0189 0.1282 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0045 0.0251 0.025
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0015 0.0034 0.009
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0189 0.1282 0.3499
Leishmania major hypothetical protein, conserved 0.0189 0.1282 0.5744
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.0146 0.1137
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0063 0.0375 0.0374
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0002 0.0002
Mycobacterium tuberculosis Conserved protein 0.0189 0.1282 0.132
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0004
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0002 0.0002
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0101 0.0698
Echinococcus granulosus p2X purinoceptor 4 0.0082 0.0514 0.0512
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.0146 0.0513
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0072 0.0071
Schistosoma mansoni microtubule-associated protein tau 0.1403 1 1
Entamoeba histolytica hypothetical protein 0.0038 0.0197 0.784
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0002 0.0004
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.0454 0.0453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0184 0.1354
Brugia malayi PHD-finger family protein 0.0051 0.0292 0.0794
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0034 0.0172
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0146 0.0144
Onchocerca volvulus 0.0457 0.3209 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.1282 0.3501
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0072 0.0468
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0061 0.012
Entamoeba histolytica hypothetical protein 0.0038 0.0197 0.784
Schistosoma mansoni hypothetical protein 0.0031 0.015 0.015
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0045 0.0251 0.025
Loa Loa (eye worm) hypothetical protein 0.0145 0.0967 0.264
Trichomonas vaginalis penicillin-binding protein, putative 0.0189 0.1282 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0251 0.1879
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0199 0.5
Trypanosoma cruzi target of rapamycin kinase 3 0.0036 0.0185 0.0692
Loa Loa (eye worm) hypothetical protein 0.0011 0.0002 0.0004
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.013 0.086 0.2345
Loa Loa (eye worm) hypothetical protein 0.0281 0.1945 0.5311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0034 0.0172
Echinococcus granulosus flap endonuclease 1 0.0031 0.0146 0.0144
Schistosoma mansoni methyl-cpg binding protein mbd 0.0035 0.0176 0.0176
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0189 0.1282 0.132
Schistosoma mansoni hypothetical protein 0.0042 0.0229 0.0229
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0002 0.0004
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0412 0.288 0.7864
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0002 0.0002
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.013 0.086 0.0859
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0197 0.0195
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0146 0.0398
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0045 0.0251 0.0998
Echinococcus multilocularis beta LACTamase domain containing family member 0.0189 0.1282 0.1281
Entamoeba histolytica hypothetical protein 0.0038 0.0197 0.784
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0137 0.0978
Toxoplasma gondii hypothetical protein 0.0051 0.0293 0.2286
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.015 0.1005 0.4468
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0072 0.0193

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 5.9 Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation ChEMBL. 20399651
IC50 (binding) > 6 Antagonist activity at P2X7 receptor (unknown origin) ChEMBL. 24314880
Imax (binding) = 100 % Inhibition of human P2X7 receptor assessed as inhibition of ethidium bromide accumulation relative to control ChEMBL. 20399651

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

2 literature references were collected for this gene.

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