Detailed information for compound 917784

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 943.513 | Formula: C45H46ClF3N4O7S3
  • H donors: 2 H acceptors: 5 LogP: 10.2 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)c1ccccc1OC1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(c(c1)S(=O)(=O)C(F)(F)F)N[C@@H](CSc1ccccc1)CCN1CCOCC1
  • InChi: 1S/C45H46ClF3N4O7S3/c46-34-14-10-32(11-15-34)40-8-4-5-9-42(40)60-37-21-24-53(25-22-37)36-16-12-33(13-17-36)44(54)51-63(57,58)39-18-19-41(43(30-39)62(55,56)45(47,48)49)50-35(20-23-52-26-28-59-29-27-52)31-61-38-6-2-1-3-7-38/h1-19,30,35,37,50H,20-29,31H2,(H,51,54)/t35-/m1/s1
  • InChiKey: CRIOULVLLPTCGQ-PGUFJCEWSA-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 BCL2-like 1 Starlite/ChEMBL References
Homo sapiens B-cell CLL/lymphoma 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis EGFP:Bcl2 fusion protein Get druggable targets OG5_139665 All targets in OG5_139665
Echinococcus granulosus EGFP:Bcl2 fusion protein Get druggable targets OG5_139665 All targets in OG5_139665
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 multilocularis uridine phosphorylase 1 0.0104 0.0442 0.0697
Onchocerca volvulus 0.028 0.1499 0.1499
Toxoplasma gondii phosphorylase family protein 0.0104 0.0442 0.0803
Brugia malayi MTAP 0.0563 0.3205 0.3525
Echinococcus granulosus geminin 0.0179 0.0894 0.1411
Echinococcus granulosus purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Schistosoma mansoni cpg binding protein 0.0405 0.2252 0.4269
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0104 0.0442 0.0433
Echinococcus granulosus bromo adjacent y domain containing 1 0.005 0.0113 0.0179
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.028 0.1499 0.2841
Trichomonas vaginalis conserved hypothetical protein 0.0104 0.0442 0.0433
Trypanosoma brucei Histone methylation protein DOT1, putative 0.0115 0.0508 0.0512
Brugia malayi GATA zinc finger family protein 0.005 0.0113 0.0124
Trypanosoma cruzi spermidine synthase, putative 0.1082 0.6337 1
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0104 0.0442 0.5
Mycobacterium tuberculosis Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY) 0.0852 0.4952 1
Brugia malayi SET domain containing protein 0.0313 0.1699 0.1869
Brugia malayi jmjC domain containing protein 0.0101 0.0423 0.0465
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0166 0.0812 0.1539
Toxoplasma gondii hypothetical protein 0.0945 0.5507 1
Brugia malayi hypothetical protein 0.0365 0.2016 0.2217
Loa Loa (eye worm) hypothetical protein 0.005 0.0113 0.0124
Loa Loa (eye worm) apoptosis regulator protein 0.0067 0.0216 0.0238
Trypanosoma cruzi histone-lysine N-methyltransferase, putative 0.0115 0.0508 0.0512
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0067 0.0216 0.0341
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0585 0.3337 1
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0433 0.2422 0.3628
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0104 0.0442 0.5
Chlamydia trachomatis AMP nucleosidase 0.0104 0.0442 0.5
Echinococcus granulosus cpg binding protein 0.0406 0.2263 0.3571
Trypanosoma cruzi MIZ/SP-RING zinc finger, putative 0.0117 0.0519 0.053
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0032 0.001 0.0018
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0104 0.0442 0.0791
Echinococcus granulosus polybromo 1 0.005 0.0113 0.0179
Giardia lamblia UPL-1 0.0104 0.0442 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.005 0.0094
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0229 0.1192 0.2258
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0104 0.0442 0.0405
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.0032 0.001 0.0015
Echinococcus multilocularis polybromo 1 0.005 0.0113 0.0179
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0433 0.2422 0.3628
Leishmania major spermidine synthase 0.1082 0.6337 1
Schistosoma mansoni histone J3 methyltransferase 0.0906 0.5277 1
Echinococcus granulosus uridine phosphorylase 1 0.0104 0.0442 0.0697
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0067 0.0216 0.0238
Echinococcus multilocularis SET and MYND domain containing protein 3 0.0075 0.0264 0.0417
Echinococcus multilocularis purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Brugia malayi hypothetical protein 0.0117 0.0519 0.0571
Echinococcus granulosus histone lysine n methyltransferase suv420h1 0.0145 0.069 0.1089
Brugia malayi SET domain containing protein 0.0129 0.0592 0.0651
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0563 0.3205 0.4902
Echinococcus granulosus histone lysine methyltransferase setb 0.0229 0.1192 0.1881
Schistosoma mansoni hepatoma derived growth factor 0.0117 0.0519 0.0984
Echinococcus granulosus spermidine synthase 0.1082 0.6337 1
Schistosoma mansoni purine nucleoside phosphorylase 0.0104 0.0442 0.0838
Echinococcus granulosus methylthioadenosine phosphorylase 0.0563 0.3205 0.5058
Plasmodium vivax spermidine synthase, putative 0.1082 0.6337 1
Loa Loa (eye worm) hypothetical protein 0.0229 0.1192 0.1311
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.005 0.0078
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0032 0.001 0.0018
Loa Loa (eye worm) hypothetical protein 0.0365 0.2016 0.2217
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0313 0.1699 0.2681
Brugia malayi F/Y-rich N-terminus family protein 0.0034 0.0018 0.0019
Brugia malayi Pre-SET motif family protein 0.0201 0.1028 0.113
Brugia malayi Carm1-pending protein 0.0154 0.0741 0.0815
Leishmania major S-adenosylmethionine decarboxylase 0.0433 0.2422 0.3813
Schistosoma mansoni bromo adjacent homology domain containing 0.005 0.0113 0.0214
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0154 0.0741 0.117
Schistosoma mansoni hypothetical protein 0.0179 0.0894 0.1695
Schistosoma mansoni jumonji domain containing protein 0.008 0.0298 0.0564
Echinococcus multilocularis purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Echinococcus granulosus purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0433 0.2422 0.3822
Schistosoma mansoni phd finger protein 0.0117 0.0519 0.0984
Schistosoma mansoni hypothetical protein 0.0067 0.0216 0.0409
Trypanosoma cruzi spermidine synthase, putative 0.1082 0.6337 1
Brugia malayi CXXC zinc finger family protein 0.0405 0.2252 0.2477
Loa Loa (eye worm) hypothetical protein 0.0951 0.5544 0.6097
Echinococcus granulosus SET and MYND domain containing protein 3 0.0075 0.0264 0.0417
Schistosoma mansoni cpg binding protein 0.0406 0.2263 0.4289
Brugia malayi hypothetical protein 0.0063 0.0193 0.0213
Loa Loa (eye worm) hypothetical protein 0.043 0.2406 0.2646
Echinococcus granulosus protein arginine N methyltransferase 8 0.0032 0.001 0.0015
Schistosoma mansoni hypothetical protein 0.0067 0.0216 0.0409
Schistosoma mansoni microtubule-associated protein tau 0.0734 0.4239 0.8033
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0104 0.0442 1
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0585 0.3337 0.5266
Mycobacterium leprae probable uridine phosphorylase 0.0104 0.0442 0.5
Echinococcus multilocularis protein arginine methyltransferase 0.0032 0.001 0.0015
Loa Loa (eye worm) hypothetical protein 0.0051 0.0124 0.0136
Entamoeba histolytica hypothetical protein 0.0117 0.0519 0.1036
Echinococcus multilocularis purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Loa Loa (eye worm) spermidine synthase 0.1082 0.6337 0.697
Treponema pallidum pfs protein (pfs) 0.0104 0.0442 0.5
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0313 0.1699 0.2681
Plasmodium falciparum purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Echinococcus granulosus hepatoma derived growth factor protein 0.0117 0.0519 0.0819
Echinococcus granulosus disco interacting protein 2 0.043 0.2406 0.3796
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0433 0.2422 0.3628
Plasmodium vivax histone-lysine N-methyltransferase, putative 0.009 0.0355 0.056
Echinococcus multilocularis hepatoma derived growth factor protein 0.0117 0.0519 0.0819
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0073 0.0115
Loa Loa (eye worm) hypothetical protein 0.005 0.0113 0.0124
Schistosoma mansoni apoptosis regulator bax 0.0067 0.0216 0.0409
Brugia malayi uridine phosphorylase family protein 0.0104 0.0442 0.0486
Schistosoma mansoni SET domain protein 0.0134 0.062 0.1175
Schistosoma mansoni purine nucleoside phosphorylase 0.0104 0.0442 0.0838
Trypanosoma brucei Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.0115 0.0508 0.0512
Echinococcus multilocularis histone lysine n methyltransferase setb1 0.0036 0.003 0.0047
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.005 0.0113 0.0214
Loa Loa (eye worm) hypothetical protein 0.0365 0.2016 0.2217
Echinococcus granulosus histone h3 methyltransferase 0.0906 0.5277 0.8327
Schistosoma mansoni hypothetical protein 0.0055 0.0146 0.0276
Trypanosoma brucei transcription elongation factor s-II, putative 0.0117 0.0519 0.053
Echinococcus granulosus purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Trypanosoma cruzi Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.0115 0.0508 0.0512
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0211 0.1084 0.1711
Loa Loa (eye worm) hypothetical protein 0.0063 0.0193 0.0213
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0563 0.3205 0.4902
Loa Loa (eye worm) SET domain-containing protein 0.0313 0.1699 0.1869
Leishmania major hypothetical protein, conserved 0.0115 0.0508 0.0787
Onchocerca volvulus 0.0123 0.0558 0.0558
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0585 0.3337 0.6324
Echinococcus multilocularis microtubule associated protein 2 0.0734 0.4239 0.6689
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.005 0.0113 0.0214
Leishmania major hypothetical protein, conserved 0.0117 0.0519 0.0805
Echinococcus multilocularis purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.0423 0.0667
Leishmania major methylthioadenosine phosphorylase, putative 0.0563 0.3205 0.505
Brugia malayi PWWP domain containing protein 0.0117 0.0519 0.0571
Schistosoma mansoni hypothetical protein 0.0117 0.0519 0.0984
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0032 0.001 0.0015
Onchocerca volvulus 0.0365 0.2016 0.2016
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0154 0.0741 0.1346
Brugia malayi Disco-interacting protein 2 homolog 0.043 0.2406 0.2646
Toxoplasma gondii Purine nucleoside phosphorylase 0.0104 0.0442 0.0803
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0563 0.3205 0.4902
Schistosoma mansoni hypothetical protein 0.0067 0.0216 0.0409
Echinococcus granulosus purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Brugia malayi NNMT/PNMT/TEMT family protein 0.0951 0.5544 0.6097
Schistosoma mansoni uridine phosphorylase 0.0104 0.0442 0.0838
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.005 0.0055
Echinococcus multilocularis metastasis associated protein 1 (mta1) 0.005 0.0113 0.0179
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0104 0.0442 1
Echinococcus granulosus metastasis associated protein 1 mta1 0.005 0.0113 0.0179
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0104 0.0442 0.0433
Echinococcus granulosus PWWP domain containing protein 2A 0.0117 0.0519 0.0819
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0951 0.5544 0.6097
Echinococcus granulosus purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Schistosoma mansoni hypothetical protein 0.005 0.0113 0.0214
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0104 0.0442 0.0405
Schistosoma mansoni methylthioadenosine phosphorylase 0.0563 0.3205 0.6074
Schistosoma mansoni cpg binding protein 0.0406 0.2263 0.4289
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.043 0.2406 0.4559
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0154 0.0741 0.117
Echinococcus granulosus purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Toxoplasma gondii histone lysine methyltransferase SET1 0.0072 0.0249 0.0453
Treponema pallidum uridine phosphorylase (udp) 0.0104 0.0442 0.5
Echinococcus granulosus microtubule associated protein 2 0.0734 0.4239 0.6689
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0104 0.0442 0.0791
Echinococcus multilocularis arginine glutamic acid dipeptide (RE) repeats 0.005 0.0113 0.0179
Trichomonas vaginalis set domain proteins, putative 0.169 1 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0067 0.0216 0.0409
Echinococcus multilocularis bromo adjacent y domain containing 1 0.005 0.0113 0.0179
Echinococcus granulosus arginine glutamic acid dipeptide RE repeats 0.005 0.0113 0.0179
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0104 0.0442 0.0405
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0104 0.0442 0.0486
Trichomonas vaginalis conserved hypothetical protein 0.0104 0.0442 0.0433
Leishmania major histone-lysine N-methyltransferase, putative 0.0115 0.0508 0.0787
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0104 0.0442 0.0433
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0104 0.0442 0.0433
Echinococcus multilocularis PWWP domain containing protein 2A 0.0117 0.0519 0.0819
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0433 0.2422 0.3822
Entamoeba histolytica hypothetical protein 0.0104 0.0442 0.0791
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0433 0.2422 0.3628
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.005 0.0113 0.0214
Trypanosoma brucei uridine phosphorylase 0.0104 0.0442 0.0405
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.005 0.0113 0.0214
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0032 0.0007 0.0013
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0585 0.3337 0.5266
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.0519 0.053
Loa Loa (eye worm) hypothetical protein 0.012 0.0537 0.059
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.0423 0.0667
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0104 0.0442 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.003 0.0033
Plasmodium falciparum histone-lysine N-methyltransferase, putative 0.009 0.0355 0.056
Schistosoma mansoni suppressor of variegation 4-20-related 0.0145 0.069 0.1308
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0039 0.0062
Echinococcus granulosus histone lysine n methyltransferase setb1 0.0036 0.003 0.0047
Loa Loa (eye worm) hypothetical protein 0.0906 0.5277 0.5803
Toxoplasma gondii hypothetical protein 0.0117 0.0519 0.0943
Loa Loa (eye worm) hypothetical protein 0.0117 0.0519 0.0571
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.0115 0.0508 0.0512
Echinococcus granulosus purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Trypanosoma brucei histone-lysine n-methyltransferase 0.0115 0.0508 0.0512
Trypanosoma cruzi hypothetical protein, conserved 0.0117 0.0519 0.053
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0433 0.2422 0.2664
Echinococcus multilocularis metastasis associated protein MTA1 0.005 0.0113 0.0179
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0835 0.4847 0.7648
Toxoplasma gondii hypothetical protein 0.0115 0.0508 0.0922
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0073 0.0115
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1539 0.9093 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0104 0.0442 0.0791
Brugia malayi Spermidine synthase 0.1082 0.6337 0.697
Brugia malayi polybromodomain protein 0.005 0.0113 0.0124
Echinococcus granulosus metastasis associated protein MTA1 0.005 0.0113 0.0179
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0104 0.0442 0.0433
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.0132 0.0609 0.0962
Loa Loa (eye worm) hypothetical protein 0.0073 0.0253 0.0278
Loa Loa (eye worm) hypothetical protein 0.005 0.0113 0.0124
Plasmodium falciparum spermidine synthase 0.1082 0.6337 1
Schistosoma mansoni uridine phosphorylase 0.0104 0.0442 0.0838
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0104 0.0442 0.0791
Toxoplasma gondii DNA methyltransferase 2, putative 0.0585 0.3337 0.606
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0079 0.0291 0.0552
Plasmodium falciparum protein arginine N-methyltransferase 1 0.0032 0.001 0.0015
Mycobacterium tuberculosis Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase) 0.0458 0.2577 0.4735
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0104 0.0442 0.0433
Loa Loa (eye worm) PWWP domain-containing protein 0.0117 0.0519 0.0571
Schistosoma mansoni methylthioadenosine phosphorylase 0.0563 0.3205 0.6074
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.0115 0.0508 0.0512
Loa Loa (eye worm) hypothetical protein 0.0114 0.0501 0.0551
Trypanosoma cruzi transcription elongation factor s-II, putative 0.0117 0.0519 0.053
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0104 0.0442 0.0433
Loa Loa (eye worm) SET domain-containing protein 0.0145 0.069 0.0759
Echinococcus granulosus DNA methyltransferase 2, putative 0.0585 0.3337 0.5266
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.0032 0.001 0.0018
Loa Loa (eye worm) hypothetical protein 0.0951 0.5544 0.6097
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0166 0.0812 0.1281
Echinococcus granulosus peregrin 0.0148 0.0705 0.1112
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0585 0.3337 0.5266
Echinococcus multilocularis purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Echinococcus multilocularis PWWP domain containing protein 2A 0.0117 0.0519 0.0819
Brugia malayi jmjC domain containing protein 0.0039 0.005 0.0055
Trypanosoma cruzi spermidine synthase, putative 0.1082 0.6337 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0104 0.0442 0.0791
Trichomonas vaginalis CDC6, putative 0.005 0.0113 0.0104
Echinococcus multilocularis disco interacting protein 2 0.043 0.2406 0.3796
Brugia malayi Pre-SET motif family protein 0.1539 0.9093 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0166 0.0812 0.1474
Leishmania major modification methylase-like protein 0.0585 0.3337 0.5259
Loa Loa (eye worm) CXXC zinc finger family protein 0.0405 0.2252 0.2477
Brugia malayi SET domain containing protein 0.0066 0.0214 0.0235
Loa Loa (eye worm) hypothetical protein 0.0053 0.0133 0.0146
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0563 0.3205 0.3525
Echinococcus multilocularis histone lysine n methyltransferase suv420h1 0.0145 0.069 0.1089
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0104 0.0442 0.0791
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.0132 0.0609 0.0962
Brugia malayi ELM2 domain containing protein 0.005 0.0113 0.0124
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0229 0.1192 0.1881
Echinococcus multilocularis geminin 0.0179 0.0894 0.1411
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0229 0.1192 0.2258
Brugia malayi hypothetical protein 0.0365 0.2016 0.2217
Trypanosoma cruzi spermidine synthase, putative 0.1082 0.6337 1
Schistosoma mansoni hypothetical protein 0.0179 0.0894 0.1695
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0104 0.0442 0.0433
Schistosoma mansoni polybromo-1 0.005 0.0113 0.0214
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0585 0.3337 0.5117
Onchocerca volvulus 0.0117 0.0519 0.0519
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0433 0.2422 0.3628
Plasmodium vivax SET domain protein, putative 0.0166 0.0812 0.1281
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0563 0.3205 0.5058
Leishmania major nucleoside phosphorylase-like protein 0.0104 0.0442 0.0683
Echinococcus granulosus purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Schistosoma mansoni hepatoma derived growth factor 0.0117 0.0519 0.0984
Loa Loa (eye worm) uridine phosphorylase 0.0104 0.0442 0.0486
Schistosoma mansoni hypothetical protein 0.0117 0.0519 0.0984
Echinococcus granulosus PWWP domain containing protein 2A 0.0117 0.0519 0.0819
Toxoplasma gondii phosphorylase family protein 0.0104 0.0442 0.0803
Mycobacterium ulcerans spermidine synthase 0.0852 0.4952 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0945 0.5507 0.869
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0211 0.1084 0.1711
Schistosoma mansoni methylthioadenosine phosphorylase 0.0104 0.0442 0.0838
Onchocerca volvulus 0.0405 0.2252 0.2252
Leishmania major hypothetical protein, conserved 0.0115 0.0508 0.0787
Loa Loa (eye worm) Carm1-pending protein 0.0154 0.0741 0.0815
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0067 0.0216 0.0341
Loa Loa (eye worm) hypothetical protein 0.0365 0.2016 0.2217
Schistosoma mansoni enhancer of zeste ezh 0.0313 0.1699 0.322
Echinococcus multilocularis purine nucleoside phosphorylase 0.0104 0.0442 0.0697
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0032 0.001 0.0018
Brugia malayi SET domain containing protein 0.0145 0.069 0.0759
Brugia malayi hypothetical protein 0.0117 0.0519 0.0571
Trichomonas vaginalis origin recognition complex subunit, putative 0.005 0.0113 0.0104
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0563 0.3205 0.6127
Echinococcus multilocularis peregrin 0.0148 0.0705 0.1112
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0585 0.3337 0.606
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0186 0.0937 0.1479
Echinococcus multilocularis spermidine synthase 0.1082 0.6337 1
Echinococcus granulosus protein arginine methyltransferase 0.0032 0.001 0.0015
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0198 0.0218
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0433 0.2422 0.2664
Trypanosoma cruzi transcription elongation factor-like protein, putative 0.0117 0.0519 0.053
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.005 0.0094
Echinococcus multilocularis cpg binding protein 0.0406 0.2263 0.3571
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0104 0.0442 0.0697
Trypanosoma brucei spermidine synthase 0.1082 0.6337 1
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0104 0.0442 0.0442
Schistosoma mansoni hypothetical protein 0.0117 0.0519 0.0984
Schistosoma mansoni protein arginine n-methyltransferase 0.0154 0.0741 0.1405
Echinococcus multilocularis histone h3 methyltransferase 0.0906 0.5277 0.8327
Onchocerca volvulus 0.043 0.2406 0.2406
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0835 0.4847 0.7648
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.0906 0.5277 0.5803
Loa Loa (eye worm) hypothetical protein 0.0067 0.0216 0.0238
Onchocerca volvulus 0.0117 0.0519 0.0519

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.038 uM Inhibition of c-terminal 6xHis-tagged Bcl-xL (amino acids 1 to 209) (unknown origin) preincubated for 1 hr prior to substrate addition measured after 20 mins by fluorescence polarization assay ChEMBL. 24881567
IC50 (binding) = 0.25 uM Inhibition of c-terminal 6xHis-tagged Bcl-2 (amino acids 1 to 204) (unknown origin) preincubated for 1 hr prior to substrate addition measured after 20 mins by fluorescence polarization assay ChEMBL. 24881567

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

1 literature reference was collected for this gene.

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