Detailed information for compound 1795042

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 496.961 | Formula: C26H26ClFN4O3
  • H donors: 2 H acceptors: 2 LogP: 3.95 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)C(=O)c1ccc(cc1)NC(=O)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F
  • InChi: 1S/C26H26ClFN4O3/c1-31-11-13-32(14-12-31)25(33)19-5-7-21(8-6-19)29-26(34)30-22-9-10-24(23(27)16-22)35-17-18-3-2-4-20(28)15-18/h2-10,15-16H,11-14,17H2,1H3,(H2,29,30,34)
  • InChiKey: NPQXZJFOGGZLIH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus acetylcholinesterase 0.0341 0.7377 1
Echinococcus granulosus geminin 0.0182 0.3834 0.5197
Loa Loa (eye worm) hypothetical protein 0.0025 0.0321 0.0435
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1833 1
Brugia malayi Carboxylesterase family protein 0.0058 0.1056 0.1431
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0098 0.1953 0.2648
Echinococcus granulosus poly (ADP ribose) polymerase 0.0022 0.0251 0.0341
Loa Loa (eye worm) hypothetical protein 0.0058 0.1056 0.1431
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0769 0.1043
Loa Loa (eye worm) poly(ADP-ribose) polymerase 0.0055 0.0991 0.1343
Echinococcus granulosus snurportin 1 0.0331 0.7152 0.9694
Loa Loa (eye worm) hypothetical protein 0.0072 0.1372 0.1859
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.1167 0.1582
Trichomonas vaginalis spcc417.12 protein, putative 0.0058 0.1056 0.576
Onchocerca volvulus 0.0031 0.0459 0.1805
Trichomonas vaginalis ran, putative 0.0023 0.0279 0.1524
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.1372 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.1056 0.1431
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0769 0.1043
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0144 0.2988 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0279 0.0379
Echinococcus multilocularis para nitrobenzyl esterase 0.0058 0.1056 0.1431
Plasmodium vivax hypothetical protein, conserved 0.0072 0.1372 1
Loa Loa (eye worm) hypothetical protein 0.0106 0.2144 0.2906
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0321 0.0881
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0769 0.1043
Schistosoma mansoni patched 1 0.0041 0.0693 0.0939
Echinococcus multilocularis Niemann Pick C1 protein 0.0096 0.192 0.2603
Loa Loa (eye worm) hypothetical protein 0.0058 0.1056 0.1431
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0076 0.1471 0.1995
Schistosoma mansoni importin beta-1 0.0031 0.0462 0.0626
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0869 0.1178
Loa Loa (eye worm) acetylcholinesterase 1 0.0341 0.7377 1
Echinococcus granulosus expressed conserved protein 0.0091 0.179 0.2426
Giardia lamblia Kinase, PLK 0.0092 0.1833 1
Echinococcus granulosus poly (ADP ribose) polymerase 0.0043 0.0732 0.0992
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0321 0.0881
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.1372 0.7483
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.1833 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.2544 0.3448
Echinococcus granulosus poly adp ribose polymerase 2 0.0076 0.1471 0.1995
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0321 0.0881
Echinococcus multilocularis acetylcholinesterase 0.0341 0.7377 1
Echinococcus granulosus sterol regulatory element binding protein 0.0041 0.0693 0.0939
Loa Loa (eye worm) hypothetical protein 0.0072 0.1372 0.1859
Schistosoma mansoni cpg binding protein 0.0033 0.0498 0.0675
Echinococcus granulosus poly (ADP ribose) polymerase 0.0022 0.0251 0.0341
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0096 0.192 0.6698
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0139 0.2867 1
Leishmania major hypothetical protein, conserved 0.0072 0.1372 0.7218
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0331 0.0943
Brugia malayi hypothetical protein 0.0058 0.1056 0.1431
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0076 0.1471 0.782
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.1056 0.1431
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.1833 1
Schistosoma mansoni neuroligin 3 (S09 family) 0.0058 0.1056 0.1431
Loa Loa (eye worm) hypothetical protein 0.0058 0.1056 0.1431
Entamoeba histolytica Ran family GTPase 0.0023 0.0279 0.0974
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0321 0.0153
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.1372 0.7483
Schistosoma mansoni hypothetical protein 0.004 0.066 0.0894
Schistosoma mansoni biogenic amine (5HT) receptor 0.0127 0.2597 0.352
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0462 0.1732
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.1167 0.3528
Onchocerca volvulus Huntingtin homolog 0.0124 0.2544 1
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0462 0.1732
Schistosoma mansoni kinase 0.0047 0.0819 0.111
Loa Loa (eye worm) hypothetical protein 0.0058 0.1056 0.1431
Loa Loa (eye worm) hypothetical protein 0.0072 0.1372 0.1859
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.1372 0.1859
Echinococcus multilocularis expressed conserved protein 0.0091 0.179 0.2426
Schistosoma mansoni hypothetical protein 0.0049 0.0869 0.1178
Brugia malayi Carboxylesterase family protein 0.0058 0.1056 0.1431
Loa Loa (eye worm) carboxylesterase 0.0341 0.7377 1
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0139 0.2867 0.3886
Onchocerca volvulus 0.0058 0.1056 0.415
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0156 0.3242 0.4395
Entamoeba histolytica hypothetical protein 0.0039 0.0646 0.2255
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0869 0.1178
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0063 0.1167 0.1582
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1833 1
Schistosoma mansoni hypothetical protein 0.004 0.066 0.0894
Echinococcus granulosus carboxylesterase 5A 0.0341 0.7377 1
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0791 0.4318
Echinococcus granulosus Niemann Pick C1 protein 0.0096 0.192 0.2603
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0331 0.7152 0.9694
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0869 0.1178
Echinococcus granulosus poly (ADP ribose) polymerase 0.0022 0.0251 0.0341
Mycobacterium tuberculosis Probable hydrolase 0.0072 0.1372 0.0353
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.1372 1
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.1372 0.7483
Leishmania major hypothetical protein, conserved 0.0025 0.0321 0.0881
Loa Loa (eye worm) hypothetical protein 0.0058 0.1056 0.1431
Onchocerca volvulus 0.0058 0.1056 0.415
Brugia malayi WGR domain containing protein 0.0076 0.1471 0.1995
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0279 0.0631
Echinococcus granulosus Niemann Pick C1 protein 0.0138 0.2843 0.3853
Mycobacterium tuberculosis Conserved protein 0.0072 0.1372 0.0353
Echinococcus multilocularis serotonin receptor 0.0127 0.2597 0.352
Echinococcus multilocularis cpg binding protein 0.0033 0.0498 0.0675
Mycobacterium tuberculosis Probable esterase LipL 0.0072 0.1372 0.0353
Echinococcus granulosus Protein patched homolog 1 0.0041 0.0693 0.0939
Brugia malayi WGR domain containing protein 0.0139 0.2867 0.3886
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.1372 0.7218
Onchocerca volvulus 0.0072 0.1372 0.5392
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0279 0.0379
Mycobacterium tuberculosis Probable lipase LipE 0.0072 0.1372 0.0353
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0076 0.1471 0.1995
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.1833 1
Leishmania major GTP-binding protein, putative 0.0023 0.0279 0.0631
Trypanosoma cruzi poly(ADP-ribose) polymerase, putative 0.0076 0.1471 0.782
Echinococcus multilocularis BC026374 protein (S09 family) 0.0058 0.1056 0.1431
Loa Loa (eye worm) carboxylesterase 0.0058 0.1056 0.1431
Onchocerca volvulus DNA ligase 3 homolog 0.0018 0.0175 0.0687
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0058 0.1056 0.1431
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0869 0.1178
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.1056 0.1431
Echinococcus multilocularis neuroligin 0.0058 0.1056 0.1431
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1833 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0058 0.1056 0.1431
Echinococcus multilocularis acetylcholinesterase 0.0341 0.7377 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.1372 0.1859
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.1372 0.7483
Schistosoma mansoni acetylcholinesterase 0.0058 0.1056 0.1431
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0869 0.1178
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0139 0.2867 0.3886
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0321 0.2274
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0321 0.2274
Schistosoma mansoni hypothetical protein 0.004 0.066 0.0894
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0058 0.1056 0.1431
Loa Loa (eye worm) hypothetical protein 0.0127 0.2597 0.352
Brugia malayi beta-lactamase family protein 0.0072 0.1372 0.1859
Echinococcus granulosus BC026374 protein S09 family 0.0058 0.1056 0.1431
Mycobacterium tuberculosis Conserved protein 0.0072 0.1372 0.0353
Brugia malayi CXXC zinc finger family protein 0.0031 0.0459 0.0622
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.1833 0.7206
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.1833 0.2485
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0066 0.1242 0.1683
Schistosoma mansoni hypothetical protein 0.0182 0.3834 0.5197
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0869 0.1178
Onchocerca volvulus 0.0072 0.1372 0.5392
Toxoplasma gondii ABC1 family protein 0.0072 0.1372 0.4033
Echinococcus granulosus poly ADP ribose polymerase 1 0.0139 0.2867 0.3886
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0072 0.1372 0.0353
Entamoeba histolytica hypothetical protein 0.0022 0.0251 0.0877
Loa Loa (eye worm) hypothetical protein 0.0041 0.0693 0.0939
Echinococcus multilocularis poly (ADP ribose) polymerase 0.0032 0.0481 0.0652
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0063 0.1167 0.3528
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0462 0.0674
Echinococcus granulosus GPCR family 2 0.0049 0.0869 0.1178
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.1372 0.1859
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0072 0.1372 0.0353
Brugia malayi hypothetical protein 0.0016 0.0126 0.017
Echinococcus multilocularis geminin 0.0182 0.3834 0.5197
Plasmodium vivax importin-beta 2, putative 0.0031 0.0462 0.1671
Brugia malayi beta-lactamase family protein 0.0072 0.1372 0.1859
Echinococcus granulosus acetylcholinesterase 0.0341 0.7377 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0769 0.1043
Echinococcus granulosus importin subunit beta 1 0.0031 0.0462 0.0626
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0462 0.0626
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0769 0.1043
Mycobacterium ulcerans lipase LipD 0.0072 0.1372 1
Echinococcus multilocularis sterol regulatory element binding protein 0.0041 0.0693 0.0939
Trypanosoma brucei polo-like protein kinase 0.0092 0.1833 1
Brugia malayi Carboxylesterase family protein 0.0341 0.7377 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1833 1
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.2144 0.2906
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0769 0.1043
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0063 0.1167 0.1582
Schistosoma mansoni hypothetical protein 0.0049 0.0869 0.1178
Trypanosoma brucei poly(adp-ribose) polymerase 0.0076 0.1471 0.782
Echinococcus granulosus cpg binding protein 0.0033 0.0498 0.0675
Schistosoma mansoni hypothetical protein 0.0331 0.7152 0.9694
Entamoeba histolytica hypothetical protein 0.0039 0.0646 0.2255
Brugia malayi Calcitonin receptor-like protein seb-1 0.0156 0.3242 0.4395
Echinococcus granulosus WGR domain containing protein 0.0043 0.0732 0.0992
Entamoeba histolytica hypothetical protein 0.0039 0.0646 0.2255
Brugia malayi hypothetical protein 0.0025 0.0321 0.0435
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0279 0.0631
Onchocerca volvulus 0.0058 0.1056 0.415
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0063 0.1167 0.1582
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0791 0.4318
Loa Loa (eye worm) hypothetical protein 0.0341 0.7377 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0017 0.0023
Mycobacterium leprae Probable lipase LipE 0.0072 0.1372 0.5
Loa Loa (eye worm) hypothetical protein 0.0156 0.3242 0.4395
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.1372 0.7218
Echinococcus granulosus biogenic amine 5HT receptor 0.0127 0.2597 0.352
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.1833 0.2485
Plasmodium falciparum importin beta, putative 0.0031 0.0462 1
Entamoeba histolytica hypothetical protein 0.0039 0.0646 0.2255
Brugia malayi RNA, U transporter 1 0.0088 0.1737 0.2354
Trichomonas vaginalis esterase, putative 0.0072 0.1372 0.7483
Schistosoma mansoni hypothetical protein 0.004 0.066 0.0894
Loa Loa (eye worm) hypothetical protein 0.0124 0.2544 0.3448
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1833 1
Schistosoma mansoni hypothetical protein 0.0106 0.2144 0.2906
Brugia malayi Carboxylesterase family protein 0.0341 0.7377 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0331 0.1806
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0279 0.0631
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0769 0.1043
Loa Loa (eye worm) hypothetical protein 0.0341 0.7377 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.1372 0.1859
Onchocerca volvulus 0.0058 0.1056 0.415
Onchocerca volvulus 0.0058 0.1056 0.415
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0279 0.0379
Schistosoma mansoni hypothetical protein 0.0049 0.0869 0.1178
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.1075 0.2938
Loa Loa (eye worm) hypothetical protein 0.0051 0.09 0.1221
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0017 0.0023
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0063 0.1167 0.5985
Trichomonas vaginalis conserved hypothetical protein 0.0041 0.0693 0.378
Loa Loa (eye worm) hypothetical protein 0.0072 0.1372 0.1859
Onchocerca volvulus 0.0072 0.1372 0.5392
Loa Loa (eye worm) beta-lactamase 0.0072 0.1372 0.1859
Echinococcus multilocularis protein patched 0.0041 0.0693 0.0939
Schistosoma mansoni ran 0.0023 0.0279 0.0379
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.1372 0.1859
Brugia malayi beta-lactamase 0.0072 0.1372 0.1859
Schistosoma mansoni cpg binding protein 0.0031 0.0459 0.0622
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0072 0.1372 0.0353
Loa Loa (eye worm) hypothetical protein 0.0018 0.0175 0.0237
Loa Loa (eye worm) hypothetical protein 0.0076 0.1471 0.1995
Brugia malayi Niemann-Pick C1 protein precursor 0.0096 0.192 0.2603
Echinococcus granulosus neuroligin 0.0058 0.1056 0.1431
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.1833 0.2485
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.1372 0.1859
Schistosoma mansoni cpg binding protein 0.0033 0.0498 0.0675
Loa Loa (eye worm) hypothetical protein 0.0049 0.0869 0.1178
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0156 0.3242 0.4395
Mycobacterium ulcerans beta-lactamase 0.0072 0.1372 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0462 0.0626
Loa Loa (eye worm) hypothetical protein 0.0096 0.192 0.2603
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0041 0.0693 0.0939
Brugia malayi Carboxylesterase family protein 0.0058 0.1056 0.1431
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0058 0.1056 0.576
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0331 0.1806
Leishmania major importin beta-1 subunit, putative 0.0025 0.0331 0.0943
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0321 0.038
Echinococcus multilocularis Niemann Pick C1 protein 0.0138 0.2843 0.3853
Echinococcus multilocularis GPCR, family 2 0.0049 0.0869 0.1178
Schistosoma mansoni hypothetical protein 0.0049 0.0869 0.1178
Brugia malayi CHE-14 protein 0.0041 0.0693 0.0939
Echinococcus multilocularis carboxylesterase 5A 0.0341 0.7377 1
Echinococcus multilocularis protein dispatched 1 0.0047 0.0823 0.1116
Loa Loa (eye worm) hypothetical protein 0.0058 0.1056 0.1431
Brugia malayi hypothetical protein 0.0124 0.2544 0.3448
Schistosoma mansoni hypothetical protein 0.0182 0.3834 0.5197
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0341 0.7377 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0769 0.1043
Brugia malayi Carboxylesterase family protein 0.0058 0.1056 0.1431
Mycobacterium tuberculosis Conserved protein 0.0072 0.1372 0.0353
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.1833 0.6394
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0331 0.1806
Schistosoma mansoni ran 0.0023 0.0279 0.0379
Echinococcus granulosus para nitrobenzyl esterase 0.0058 0.1056 0.1431
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0279 0.0379
Echinococcus multilocularis snurportin 1 0.0331 0.7152 0.9694
Onchocerca volvulus Huntingtin homolog 0.0124 0.2544 1
Brugia malayi Importin beta-1 subunit 0.0031 0.0462 0.0626
Loa Loa (eye worm) carboxylesterase 0.0058 0.1056 0.1431
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1833 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.1833 0.2485
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.1372 0.7483
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0646 0.0876
Loa Loa (eye worm) hypothetical protein 0.0072 0.1372 0.1859
Schistosoma mansoni hypothetical protein 0.0011 0.0017 0.0023
Mycobacterium ulcerans hypothetical protein 0.0072 0.1372 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.1833 0.2485
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0869 0.1178
Schistosoma mansoni gliotactin 0.0058 0.1056 0.1431
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.1372 0.1859
Schistosoma mansoni hypothetical protein 0.0039 0.0646 0.0876
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0769 0.1043
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1833 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0459 0.0622
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.1231 0.1669
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0063 0.1167 0.0125
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0646 0.0876
Schistosoma mansoni BC026374 protein (S09 family) 0.0058 0.1056 0.1431
Loa Loa (eye worm) hypothetical protein 0.0127 0.2597 0.352
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0058 0.1073 0.1455
Entamoeba histolytica hypothetical protein 0.0025 0.0331 0.1155
Mycobacterium tuberculosis Probable lipase LipD 0.0072 0.1372 0.0353
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0646 0.0876
Loa Loa (eye worm) hypothetical protein 0.0106 0.2127 0.2884
Mycobacterium leprae conserved hypothetical protein 0.0072 0.1372 0.5
Brugia malayi hypothetical protein 0.0039 0.0646 0.0876
Echinococcus multilocularis serotonin receptor 0.0127 0.2597 0.352
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.1372 0.7218

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 82.7 % Cytotoxicity against Homo sapiens (human) PC3 cells assessed as growth inhibition at 100 uM after 48 hr by MTT assay ChEMBL. No reference
IC50 (functional) = 10.8 uM Cytotoxicity against Homo sapiens (human) A549 cells assessed as growth inhibition after 48 hr by MTT assay ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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

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