Detailed information for compound 1032607

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 455.381 | Formula: C20H28Cl2N6O2
  • H donors: 3 H acceptors: 5 LogP: 4.06 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1CCCN(C1)CCCCn1cnc2c1nc(Nc1ccccc1)nc2O.Cl.Cl
  • InChi: 1S/C20H26N6O2.2ClH/c27-16-9-6-11-25(13-16)10-4-5-12-26-14-21-17-18(26)23-20(24-19(17)28)22-15-7-2-1-3-8-15;;/h1-3,7-8,14,16,27H,4-6,9-13H2,(H2,22,23,24,28);2*1H
  • InChiKey: WINATDSCSXJOAU-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
Human herpesvirus 1 (strain SC16) (HHV-1) (Human herpes simplex virus1) Thymidine kinase Starlite/ChEMBL References
Human herpesvirus 2 Thymidine kinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Giardia lamblia Deoxynucleoside kinase Get druggable targets OG5_131626 All targets in OG5_131626
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
Schistosoma mansoni hypothetical protein 0.0033 0.0151 0.0298
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.058 0.0826
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0016 0.0033 0.0064
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0277 0.1667
Schistosoma mansoni Smad4 0.0025 0.0097 0.0191
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0047 0.0249 0.1472
Schistosoma mansoni ferritin 0.0026 0.01 0.0198
Schistosoma mansoni smad1 5 8 and 0.0025 0.0097 0.0191
Brugia malayi RNA, U transporter 1 0.0086 0.052 0.1634
Schistosoma mansoni cpg binding protein 0.0032 0.0143 0.0282
Echinococcus multilocularis tumor protein p63 0.103 0.7029 1
Echinococcus granulosus ferritin 0.0026 0.01 0.0143
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0012 0.0017
Echinococcus multilocularis lamin dm0 0.0027 0.0107 0.0152
Giardia lamblia Deoxynucleoside kinase 0.0455 0.3059 1
Trichomonas vaginalis ferritin, putative 0.0026 0.01 0.0531
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0033 0.0129
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.058 0.0826
Echinococcus granulosus GA binding protein alpha chain 0.0076 0.045 0.0641
Schistosoma mansoni transcription factor LCR-F1 0.0268 0.1772 0.3495
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.0277 0.1402
Schistosoma mansoni hypothetical protein 0.0023 0.0082 0.0162
Echinococcus granulosus dnaJ subfamily B 0.0429 0.2879 0.4097
Onchocerca volvulus 0.0033 0.0151 0.0884
Echinococcus granulosus importin subunit beta 1 0.003 0.0133 0.019
Echinococcus granulosus lamin dm0 0.0027 0.0107 0.0152
Loa Loa (eye worm) hypothetical protein 0.0011 0.0001 0.0003
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0099 0.0523
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.058 0.0826
Echinococcus multilocularis ferritin 0.0026 0.01 0.0143
Leishmania major GTP-binding protein, putative 0.0022 0.0078 0.0309
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0165 0.0918
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.0277 0.1667
Mycobacterium ulcerans beta-lactamase 0.0229 0.1501 1
Schistosoma mansoni smad1 5 8 and 0.0025 0.0097 0.0191
Mycobacterium tuberculosis Probable hydrolase 0.0229 0.1501 0.1415
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.002 0.0059 0.0177
Brugia malayi Smad1 0.0025 0.0097 0.0304
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0118 0.0636
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0151 0.0215
Schistosoma mansoni apoferritin-2 0.0026 0.01 0.0198
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0325 0.2163 0.6795
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0151 0.0297
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.058 0.0826
Brugia malayi Pre-SET motif family protein 0.0033 0.0151 0.0474
Entamoeba histolytica hypothetical protein 0.0268 0.1772 1
Plasmodium vivax SET domain protein, putative 0.0033 0.0151 0.0512
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0182 0.1018
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0094 0.0492
Echinococcus multilocularis GPCR, family 2 0.0033 0.0151 0.0215
Brugia malayi hypothetical protein 0.0033 0.0152 0.0478
Onchocerca volvulus 0.0151 0.0964 0.5683
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0165 0.0918
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0151 0.0474
Mycobacterium ulcerans lipase LipD 0.0229 0.1501 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0035 0.0165 0.0615
Schistosoma mansoni microtubule-associated protein tau 0.0746 0.5071 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0277 1
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0013 0.0012 0.0017
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0268 0.1772 0.2522
Loa Loa (eye worm) hypothetical protein 0.0071 0.0415 0.1303
Entamoeba histolytica hypothetical protein 0.0268 0.1772 1
Echinococcus granulosus lamin 0.0027 0.0107 0.0152
Echinococcus multilocularis importin subunit beta 1 0.003 0.0133 0.019
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.058 0.1145
Schistosoma mansoni Smad4 0.0011 0.0001 0.0002
Mycobacterium tuberculosis Probable lipase LipE 0.0229 0.1501 0.1415
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0099 0.0525
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0094 0.0492
Loa Loa (eye worm) hypothetical protein 0.0065 0.0374 0.1175
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0229 0.1501 0.1415
Onchocerca volvulus 0.0229 0.1501 0.8854
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0229 0.1501 0.1415
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0099 0.0525
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0078 0.0309
Schistosoma mansoni hypothetical protein 0.0325 0.2163 0.4266
Echinococcus multilocularis mothers against decapentaplegic 6 0.0011 0.0001 0.0001
Schistosoma mansoni gabp alpha 0.0076 0.045 0.0888
Loa Loa (eye worm) hypothetical protein 0.0051 0.0277 0.0872
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.058 0.1823
Brugia malayi Pre-SET motif family protein 0.0226 0.148 0.4651
Schistosoma mansoni thyroid hormone receptor 0.0138 0.0877 0.1729
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0022 0.0069
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0094 0.0492
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0094 0.0416
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0047 0.0249 0.1472
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0182 0.1018
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0038 0.0183 0.1021
Brugia malayi MH2 domain containing protein 0.0369 0.2467 0.7749
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0118 0.0636
Trypanosoma cruzi hypothetical protein, conserved 0.0229 0.1501 1
Echinococcus granulosus GPCR family 2 0.0033 0.0151 0.0215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0182 0.1018
Echinococcus multilocularis tar DNA binding protein 0.0473 0.3183 0.4529
Echinococcus multilocularis snurportin 1 0.0325 0.2163 0.3077
Schistosoma mansoni tar DNA-binding protein 0.0473 0.3183 0.6278
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0033 0.0129
Loa Loa (eye worm) phosphatidylinositol 3 0.0016 0.0033 0.0103
Schistosoma mansoni hypothetical protein 0.0033 0.0151 0.0298
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0151 0.0215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0249 0.1413
Brugia malayi RNA recognition motif domain containing protein 0.0473 0.3183 1
Mycobacterium ulcerans hypothetical protein 0.0229 0.1501 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0116 0.0624
Echinococcus multilocularis cpg binding protein 0.0032 0.0143 0.0203
Plasmodium vivax hypothetical protein, conserved 0.0229 0.1501 1
Echinococcus multilocularis expressed protein 0.0026 0.01 0.0143
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0047 0.0249 0.1472
Onchocerca volvulus 0.0257 0.1695 1
Loa Loa (eye worm) hypothetical protein 0.0151 0.0964 0.3027
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0082 0.0117
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0116 0.0624
Entamoeba histolytica hypothetical protein 0.0268 0.1772 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0047 0.0249 0.1472
Loa Loa (eye worm) hypothetical protein 0.0229 0.1501 0.4715
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0128 0.0806 0.1147
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0028
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0026 0.01 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0151 0.0215
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0151 0.0474
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0249 0.1413
Echinococcus multilocularis beta LACTamase domain containing family member 0.0229 0.1501 0.2135
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0182 0.1018
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0097 0.0138
Schistosoma mansoni ferritin light chain 0.0026 0.01 0.0198
Onchocerca volvulus 0.0229 0.1501 0.8854
Loa Loa (eye worm) nuclear factor I 0.0014 0.0019 0.0061
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0165 0.0918
Brugia malayi MH1 domain containing protein 0.0014 0.0019 0.0061
Schistosoma mansoni hypothetical protein 0.0268 0.1772 0.3495
Schistosoma mansoni hypothetical protein 0.0071 0.0415 0.0818
Schistosoma mansoni smad 0.0025 0.0097 0.0191
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0033 0.0129
Mycobacterium tuberculosis Conserved protein 0.0229 0.1501 0.1415
Echinococcus granulosus expressed protein 0.0026 0.01 0.0143
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0229 0.1501 0.1415
Brugia malayi MH1 domain containing protein 0.0025 0.0097 0.0304
Echinococcus multilocularis smad 0.0025 0.0097 0.0138
Schistosoma mansoni cellular tumor antigen P53 0.0151 0.0964 0.19
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0229 0.1501 0.4715
Brugia malayi Fli-1 protein 0.0232 0.1523 0.4785
Echinococcus granulosus microtubule associated protein 2 0.0746 0.5071 0.7214
Plasmodium vivax importin-beta 2, putative 0.003 0.0133 0.0389
Mycobacterium tuberculosis Conserved protein 0.0229 0.1501 0.1415
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0022 0.0077 0.0305
Schistosoma mansoni intermediate filament proteins 0.0027 0.0107 0.0211
Loa Loa (eye worm) hypothetical protein 0.0229 0.1501 0.4715
Schistosoma mansoni apoferritin-2 0.0026 0.01 0.0198
Echinococcus multilocularis mothers against decapentaplegic 2 0.0011 0.0001 0.0001
Loa Loa (eye worm) phosphatidylinositol 3 0.0047 0.0249 0.0782
Trichomonas vaginalis D-aminoacylase, putative 0.0229 0.1501 0.8847
Brugia malayi Importin beta-1 subunit 0.003 0.0133 0.0419
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0151 0.0215
Schistosoma mansoni tar DNA-binding protein 0.0473 0.3183 0.6278
Leishmania major hypothetical protein, conserved 0.0229 0.1501 1
Echinococcus granulosus mothers against decapentaplegic 6 0.0011 0.0001 0.0001
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0165 0.0918
Echinococcus granulosus snurportin 1 0.0325 0.2163 0.3077
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0099 0.0525
Trichomonas vaginalis penicillin-binding protein, putative 0.0229 0.1501 0.8847
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0133 0.0389
Brugia malayi Ets-domain containing protein 0.0076 0.045 0.1415
Loa Loa (eye worm) hypothetical protein 0.0229 0.1501 0.4715
Brugia malayi mothers against decapentaplegic homolog 3 0.0011 0.0001 0.0003
Loa Loa (eye worm) Smad1 0.0025 0.0097 0.0304
Schistosoma mansoni importin beta-1 0.003 0.0133 0.0263
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0047 0.0249 0.0354
Schistosoma mansoni lamin 0.0027 0.0107 0.0211
Echinococcus multilocularis thyroid hormone receptor alpha 0.0138 0.0877 0.1247
Schistosoma mansoni tar DNA-binding protein 0.0473 0.3183 0.6278
Loa Loa (eye worm) hypothetical protein 0.0033 0.0151 0.0474
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.0277 0.1667
Onchocerca volvulus 0.003 0.0131 0.0768
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0165 0.0918
Schistosoma mansoni smad1 5 8 and 0.0025 0.0097 0.0191
Mycobacterium tuberculosis Conserved protein 0.0229 0.1501 0.1415
Echinococcus granulosus Smad4 0.0025 0.0097 0.0138
Trichomonas vaginalis D-aminoacylase, putative 0.0229 0.1501 0.8847
Schistosoma mansoni tar DNA-binding protein 0.0473 0.3183 0.6278
Echinococcus multilocularis dnaJ subfamily B 0.0429 0.2879 0.4097
Schistosoma mansoni Smad4 0.0011 0.0001 0.0002
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0138 0.0196
Trichomonas vaginalis PIKK family atypical protein kinase 0.0047 0.0249 0.1413
Brugia malayi beta-lactamase family protein 0.0229 0.1501 0.4715
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0099 0.0525
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0182 0.1018
Onchocerca volvulus 0.0027 0.0107 0.0626
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0229 0.1501 0.4715
Echinococcus multilocularis GA binding protein alpha chain 0.0076 0.045 0.0641
Loa Loa (eye worm) MH1 domain-containing protein 0.0011 0.0001 0.0003
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.058 0.1145
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0415 0.1303
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0078 0.0245
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0107 0.0336
Brugia malayi hypothetical protein 0.0268 0.1772 0.5568
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0033 0.0129
Brugia malayi intermediate filament protein 0.0027 0.0107 0.0336
Trichomonas vaginalis set domain proteins, putative 0.0257 0.1695 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0151 0.0215
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0038 0.0183 0.1021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0016 0.0033 0.0129
Brugia malayi MH2 domain containing protein 0.0025 0.0097 0.0304
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0016 0.0033 0.0046
Schistosoma mansoni lamin 0.0027 0.0107 0.0211
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0151 0.0215
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0047 0.0249 0.1008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.058 0.1145
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.0277 0.1402
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0107 0.0336
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.0277 1
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0133 0.0686
Trichomonas vaginalis esterase, putative 0.0229 0.1501 0.8847
Brugia malayi MH2 domain containing protein 0.0011 0.0001 0.0003
Brugia malayi beta-lactamase family protein 0.0229 0.1501 0.4715
Trypanosoma cruzi hypothetical protein, conserved 0.0229 0.1501 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0016 0.0033 0.0046
Echinococcus multilocularis lamin 0.0027 0.0107 0.0152
Schistosoma mansoni hypothetical protein 0.0128 0.0806 0.159
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0097 0.0304
Schistosoma mansoni ran 0.0022 0.0078 0.0154
Echinococcus granulosus mothers against decapentaplegic 2 0.0011 0.0001 0.0001
Schistosoma mansoni ets-related 0.0232 0.1523 0.3004
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0099 0.0523
Entamoeba histolytica hypothetical protein 0.0025 0.0094 0.0093
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0165 0.0918
Echinococcus granulosus tar DNA binding protein 0.0473 0.3183 0.4529
Trichomonas vaginalis penicillin-binding protein, putative 0.0229 0.1501 0.8847
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.0642 0.2017
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0082 0.0117
Loa Loa (eye worm) hypothetical protein 0.0026 0.0104 0.0326
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0201 0.1131
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0229 0.1501 1
Loa Loa (eye worm) fli-1 protein 0.0232 0.1523 0.4785
Trypanosoma cruzi target of rapamycin kinase 3 0.0038 0.0183 0.1021
Loa Loa (eye worm) RNA binding protein 0.0473 0.3183 1
Schistosoma mansoni hypothetical protein 0.0033 0.0151 0.0298
Echinococcus multilocularis microtubule associated protein 2 0.0746 0.5071 0.7214
Brugia malayi RNA binding protein 0.0473 0.3183 1
Echinococcus granulosus cpg binding protein 0.0032 0.0143 0.0203
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0078 0.0309
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0131 0.0412
Loa Loa (eye worm) hypothetical protein 0.0229 0.1501 0.4715
Leishmania major importin beta-1 subunit, putative 0.0025 0.0094 0.0416
Giardia lamblia GTOR 0.0047 0.0249 0.0573
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0325 0.1736
Schistosoma mansoni smad 0.0011 0.0001 0.0002
Schistosoma mansoni ferritin 0.0026 0.01 0.0198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.0165 0.0918
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0097 0.0138
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0097 0.0138
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0151 0.0297
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0151 0.0215
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0268 0.1772 0.2522
Loa Loa (eye worm) transcription factor SMAD2 0.0369 0.2467 0.7749
Schistosoma mansoni hypothetical protein 0.0033 0.0151 0.0298
Brugia malayi MH1 domain containing protein 0.0014 0.0019 0.0061
Echinococcus granulosus intermediate filament protein 0.0027 0.0107 0.0152
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.0642 0.2017
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0047 0.0249 0.1008
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0078 0.0111
Schistosoma mansoni ferritin light chain 0.0026 0.01 0.0198
Loa Loa (eye worm) hypothetical protein 0.0229 0.1501 0.4715
Loa Loa (eye worm) beta-lactamase 0.0229 0.1501 0.4715
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0133 0.0686
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0372 0.0734
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0097 0.0191
Trypanosoma brucei hypothetical protein, conserved 0.0229 0.1501 1
Toxoplasma gondii ABC1 family protein 0.0229 0.1501 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0151 0.0474
Mycobacterium leprae Probable lipase LipE 0.0229 0.1501 1
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0076 0.045 0.1415
Loa Loa (eye worm) hypothetical protein 0.0104 0.0642 0.2017
Schistosoma mansoni cpg binding protein 0.003 0.0131 0.0259
Brugia malayi hypothetical protein 0.0051 0.0277 0.0872
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0128 0.0806 0.1147
Loa Loa (eye worm) hypothetical protein 0.003 0.0133 0.0419
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0022 0.0069
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.058 0.1823
Schistosoma mansoni ferritin 0.0026 0.01 0.0198
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0099 0.0523
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0229 0.1501 0.296
Brugia malayi TAR-binding protein 0.0473 0.3183 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0226 0.148 0.4651
Loa Loa (eye worm) hypothetical protein 0.0013 0.0012 0.0038
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0047 0.0249 0.0782
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0047 0.0249 0.0491
Schistosoma mansoni cpg binding protein 0.0032 0.0143 0.0282
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0016 0.0033 0.0103
Trichomonas vaginalis ran, putative 0.0022 0.0078 0.0399
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0151 0.0512
Brugia malayi MH1 domain containing protein 0.0025 0.0097 0.0304
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0151 0.0297
Brugia malayi MH2 domain containing protein 0.0025 0.0097 0.0304
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0047 0.0249 0.0354
Mycobacterium tuberculosis Probable lipase LipD 0.0229 0.1501 0.1415
Schistosoma mansoni thyroid hormone receptor 0.0138 0.0877 0.1729
Mycobacterium ulcerans esterase/lipase LipP 0.0229 0.1501 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0229 0.1501 0.2135
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0118 0.0636
Treponema pallidum bacterioferrin (TpF1) 0.0026 0.01 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0107 0.0336
Echinococcus multilocularis Smad4 0.0025 0.0097 0.0138
Echinococcus granulosus smad 0.0025 0.0097 0.0138
Trichomonas vaginalis D-aminoacylase, putative 0.0229 0.1501 0.8847
Schistosoma mansoni tar DNA-binding protein 0.0473 0.3183 0.6278
Brugia malayi Ets-domain containing protein 0.0076 0.045 0.1415
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0097 0.0304
Schistosoma mansoni hypothetical protein 0.0429 0.2879 0.5679
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.0642 0.2017
Leishmania major hypothetical protein, conserved 0.0051 0.0277 0.1667
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0473 0.3183 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0151 0.0297
Entamoeba histolytica hypothetical protein 0.0268 0.1772 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0019 0.0061
Mycobacterium tuberculosis Probable esterase LipL 0.0229 0.1501 0.1415
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0078 0.0309
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0078 0.0245
Loa Loa (eye worm) MH2 domain-containing protein 0.0011 0.0001 0.0003
Onchocerca volvulus 0.0027 0.0107 0.0626
Loa Loa (eye worm) MH2 domain-containing protein 0.0369 0.2467 0.7749
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0107 0.0336
Loa Loa (eye worm) hypothetical protein 0.0012 0.0009 0.0028
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0047 0.0249 0.1472
Schistosoma mansoni ferritin 0.0026 0.01 0.0198
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0097 0.0138
Plasmodium falciparum importin beta, putative 0.003 0.0133 0.2776
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0078 0.0111
Onchocerca volvulus 0.0229 0.1501 0.8854
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0229 0.1501 0.296
Trichomonas vaginalis PIKK family atypical protein kinase 0.0032 0.0142 0.0777
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0047 0.0249 0.1472
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0151 0.0474
Echinococcus multilocularis musashi 0.0027 0.0107 0.0152
Loa Loa (eye worm) TAR-binding protein 0.0473 0.3183 1
Schistosoma mansoni ran 0.0022 0.0078 0.0154
Loa Loa (eye worm) hypothetical protein 0.0229 0.1501 0.4715
Brugia malayi CXXC zinc finger family protein 0.003 0.0131 0.0412
Mycobacterium leprae conserved hypothetical protein 0.0229 0.1501 1
Echinococcus granulosus tumor protein p63 0.103 0.7029 1
Brugia malayi beta-lactamase 0.0229 0.1501 0.4715
Trichomonas vaginalis PIKK family atypical protein kinase 0.0031 0.0135 0.0735

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.31 uM Inhibitory concentration against herpes simplex virus type 2 thymidine kinase ChEMBL. 15916444
IC50 (binding) = 5.7 uM Inhibitory concentration against herpes simplex virus type 1 thymidine kinase ChEMBL. 15916444

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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