Detailed information for compound 1822928

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 560.661 | Formula: C31H32N2O6S
  • H donors: 2 H acceptors: 4 LogP: 3.48 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC(=O)c1ccc(cc1NS(=O)(=O)c1ccc(cc1)OCCCN1CCOCC1)c1ccc(c2c1cccc2)C
  • InChi: 1S/C31H32N2O6S/c1-22-7-13-27(28-6-3-2-5-26(22)28)23-8-14-29(31(34)35)30(21-23)32-40(36,37)25-11-9-24(10-12-25)39-18-4-15-33-16-19-38-20-17-33/h2-3,5-14,21,32H,4,15-20H2,1H3,(H,34,35)
  • InChiKey: DMAMRXTYIWXNNC-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 myeloid cell leukemia 1 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
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0149 0.021 0.0346
Schistosoma mansoni hypothetical protein 0.01 0.0134 0.1365
Echinococcus multilocularis mannose 1 phosphate guanyltransferase beta 0.003 0.0025 0.0041
Brugia malayi MH2 domain containing protein 0.0227 0.0332 0.6928
Loa Loa (eye worm) hypothetical protein 0.0029 0.0024 0.0488
Echinococcus multilocularis Smad4 0.0015 0.0002 0.0003
Chlamydia trachomatis UDP-3-O-acylglucosamine N-acyltransferase 0.003 0.0025 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0069 0.0085 0.4475
Schistosoma mansoni ap endonuclease 0.0042 0.0043 0.0429
Mycobacterium ulcerans beta-lactamase 0.0069 0.0085 0.0083
Mycobacterium ulcerans hypothetical protein 0.0069 0.0085 0.0083
Brugia malayi Calcitonin receptor-like protein seb-1 0.0321 0.0479 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0015 0.0002 0.0003
Trypanosoma brucei hypothetical protein, conserved 0.003 0.0025 0.2824
Plasmodium vivax hypothetical protein, conserved 0.0069 0.0085 1
Entamoeba histolytica serine acetyltransferase, putative 0.003 0.0025 0.1129
Toxoplasma gondii ABC1 family protein 0.0069 0.0085 0.0404
Leishmania major hypothetical protein, conserved 0.0069 0.0085 1
Loa Loa (eye worm) hypothetical protein 0.0069 0.0085 0.1764
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0055 0.1538
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.003 0.0025 0.0243
Schistosoma mansoni dynactin subunit P25 0.003 0.0025 0.0243
Brugia malayi hypothetical protein 0.003 0.0025 0.0528
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0042 0.0043 1
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0055 0.0552
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.01 0.0134 0.0221
Mycobacterium ulcerans bifunctional N-acetylglucosamine-1-phosphate uridyltransferase/glucosamine-1-phosphate acetyltransferase 0.6427 1 1
Schistosoma mansoni hypothetical protein 0.0102 0.0137 0.1392
Echinococcus multilocularis mannose 1 phosphate guanyltransferase 0.003 0.0025 0.0041
Schistosoma mansoni smad1 5 8 and 0.0015 0.0002 0.0003
Wolbachia endosymbiont of Brugia malayi N-acetylglucosamine-1-phosphate uridyltransferase 0.6427 1 1
Echinococcus granulosus intermediate filament protein 0.003 0.0025 0.025
Echinococcus granulosus geminin 0.0636 0.097 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0204 0.0296 0.3045
Brugia malayi hypothetical protein 0.0149 0.021 0.4379
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0069 0.0085 0.0083
Loa Loa (eye worm) latrophilin receptor protein 2 0.0102 0.0137 0.2841
Mycobacterium tuberculosis Probable lipase LipE 0.0069 0.0085 0.0083
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0162 0.023 0.2366
Plasmodium falciparum mannose-1-phosphate guanyltransferase, putative 0.003 0.0025 0.4236
Brugia malayi ImpB/MucB/SamB family protein 0.0035 0.0033 0.0695
Trichomonas vaginalis esterase, putative 0.0069 0.0085 0.4475
Mycobacterium tuberculosis Probable esterase LipL 0.0069 0.0085 0.0083
Echinococcus granulosus lamin dm0 0.003 0.0025 0.025
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0042 0.0043 0.1994
Loa Loa (eye worm) GDP-mannose pyrophosphorylase B 0.003 0.0025 0.0517
Echinococcus multilocularis lamin 0.003 0.0025 0.004
Loa Loa (eye worm) hypothetical protein 0.003 0.0025 0.0517
Trypanosoma cruzi GDP-mannose pyrophosphorylase 0.003 0.0025 0.2824
Onchocerca volvulus 0.005 0.0055 0.1538
Onchocerca volvulus 0.0054 0.0062 0.1865
Brugia malayi Smad1 0.0015 0.0002 0.0044
Loa Loa (eye worm) RNA binding protein 0.0071 0.0088 0.1826
Brugia malayi TAR-binding protein 0.0071 0.0088 0.1836
Echinococcus multilocularis GPCR, family 2 0.0102 0.0137 0.0225
Mycobacterium ulcerans serine acetyltransferase CysE 0.003 0.0025 0.0023
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0025 0.2824
Loa Loa (eye worm) hypothetical protein 0.0102 0.0137 0.2841
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0071 0.0088 0.1826
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0102 0.0137 0.1403
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0162 0.023 0.2366
Mycobacterium tuberculosis Possible siderophore-binding protein 0.003 0.0025 0.0023
Echinococcus multilocularis muscleblind protein 1 0.0166 0.0237 0.0392
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0042 0.0043 0.4987
Schistosoma mansoni hypothetical protein 0.0149 0.021 0.2149
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0162 0.023 0.2356
Leishmania major DNA polymerase eta, putative 0.0035 0.0033 0.3785
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0088 0.089
Brugia malayi latrophilin 2 splice variant baaae 0.022 0.0321 0.669
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0043 1
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0025 0.2824
Echinococcus granulosus mannose 1 phosphate guanyltransferase beta 0.003 0.0025 0.0255
Leishmania major hypothetical protein, conserved 0.003 0.0025 0.2824
Echinococcus multilocularis mannose 1 phosphate guanyltransferase beta 0.003 0.0025 0.0041
Schistosoma mansoni glucosamine-1-phosphate N-acetyltransferase 0.003 0.0025 0.0243
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0102 0.0137 0.0225
Schistosoma mansoni mannose-1-phosphate guanyltransferase 0.003 0.0025 0.0243
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0015 0.0002 0.0013
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0025 0.0518
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.01 0.0134 0.1365
Brugia malayi GDP-mannose pyrophosphorylase B 0.003 0.0025 0.0528
Brugia malayi RNA binding protein 0.0071 0.0088 0.1836
Loa Loa (eye worm) dynactin 5 0.003 0.0025 0.0517
Trypanosoma cruzi hypothetical protein, conserved 0.0069 0.0085 1
Entamoeba histolytica acetyltransferase, putative 0.003 0.0025 0.1129
Echinococcus multilocularis beta LACTamase domain containing family member 0.0069 0.0085 0.014
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0069 0.0085 0.1774
Loa Loa (eye worm) hypothetical protein 0.022 0.0321 0.6687
Echinococcus granulosus TGF beta signal transducer SmadC 0.0015 0.0002 0.0016
Echinococcus granulosus tar DNA binding protein 0.0071 0.0088 0.0902
Loa Loa (eye worm) Smad1 0.0015 0.0002 0.0032
Mycobacterium ulcerans transferase 0.003 0.0025 0.0023
Schistosoma mansoni smad 0.0015 0.0002 0.0003
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0149 0.021 0.2159
Trypanosoma brucei hypothetical protein, conserved 0.0069 0.0085 1
Schistosoma mansoni hypothetical protein 0.0102 0.0137 0.1392
Trypanosoma brucei PAB1-binding protein , putative 0.0022 0.0012 0.1234
Echinococcus granulosus dynactin 5 p25 0.003 0.0025 0.0255
Treponema pallidum licC protein (licC) 0.1178 0.1816 1
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.003 0.0025 0.4236
Schistosoma mansoni hypothetical protein 0.0102 0.0137 0.1392
Onchocerca volvulus 0.0069 0.0085 0.304
Leishmania major hypothetical protein, conserved 0.003 0.0025 0.2824
Brugia malayi intermediate filament protein 0.003 0.0025 0.0518
Loa Loa (eye worm) GDP-mannose pyrophosphorylase B 0.003 0.0025 0.0517
Schistosoma mansoni ap endonuclease 0.0042 0.0043 0.0429
Loa Loa (eye worm) hypothetical protein 0.0321 0.0479 1
Chlamydia trachomatis acyl-ACP--UDP-N-acetylglucosamine O-acyltransferase 0.003 0.0025 0.5
Toxoplasma gondii hypothetical protein 0.003 0.0025 0.0073
Echinococcus granulosus GPCR family 2 0.0102 0.0137 0.1403
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.01 0.0134 0.2795
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0055 0.1142
Brugia malayi hypothetical protein 0.0157 0.0223 0.4649
Mycobacterium ulcerans lipase LipD 0.0069 0.0085 0.0083
Mycobacterium tuberculosis Conserved hypothetical protein 0.1178 0.1816 0.1814
Echinococcus multilocularis tar DNA binding protein 0.0071 0.0088 0.0145
Entamoeba histolytica serine acetyltransferase 1 0.003 0.0025 0.1129
Echinococcus granulosus mothers against decapentaplegic 5 0.0015 0.0002 0.0016
Giardia lamblia Translation initiation factor 0.003 0.0025 0.5663
Entamoeba histolytica acetyltransferase, putative 0.003 0.0025 0.1129
Schistosoma mansoni hypothetical protein 0.0054 0.0062 0.0619
Brugia malayi Nucleotidyl transferase family protein 0.003 0.0025 0.0528
Entamoeba histolytica hypothetical protein 0.0149 0.021 1
Brugia malayi MH1 domain containing protein 0.0015 0.0002 0.0044
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0042 0.0043 0.0071
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0055 0.0564
Echinococcus granulosus dna polymerase kappa 0.0015 0.0002 0.0013
Toxoplasma gondii eukaryotic initiation factor 2B epsilon subunit, putative 0.003 0.0025 0.0073
Mycobacterium ulcerans hypothetical protein 0.1178 0.1816 0.1814
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0043 0.2232
Loa Loa (eye worm) intermediate filament protein 0.003 0.0025 0.0506
Loa Loa (eye worm) hypothetical protein 0.0069 0.0085 0.1764
Entamoeba histolytica maltose O-acetyltransferase, putative 0.003 0.0025 0.1129
Schistosoma mansoni Smad4 0.0015 0.0002 0.0003
Mycobacterium ulcerans hypothetical protein 0.003 0.0025 0.0023
Loa Loa (eye worm) hypothetical protein 0.0263 0.0389 0.8109
Schistosoma mansoni lamin 0.003 0.0025 0.0237
Mycobacterium tuberculosis Probable lipase LipD 0.0069 0.0085 0.0083
Trichomonas vaginalis conserved hypothetical protein 0.0134 0.0188 1
Mycobacterium tuberculosis Probable hydrolase 0.0069 0.0085 0.0083
Entamoeba histolytica hypothetical protein 0.0149 0.021 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0069 0.0085 0.0083
Echinococcus multilocularis dynactin 5 p25 0.003 0.0025 0.0041
Mycobacterium ulcerans molybdopterin-guanine dinucleotide biosynthesis protein A 0.1178 0.1816 0.1814
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0055 0.009
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.003 0.0025 0.1129
Loa Loa (eye worm) hypothetical protein 0.0166 0.0237 0.4948
Loa Loa (eye worm) hypothetical protein 0.0166 0.0237 0.4948
Trypanosoma cruzi Translation initiation factor eIF-2B subunit epsilon, putative 0.003 0.0025 0.2824
Mycobacterium ulcerans hypothetical protein 0.1178 0.1816 0.1814
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0055 0.009
Entamoeba histolytica hypothetical protein 0.0149 0.021 1
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0088 0.089
Loa Loa (eye worm) MH2 domain-containing protein 0.0015 0.0002 0.0032
Brugia malayi hypothetical protein 0.003 0.0025 0.0528
Plasmodium falciparum liver specific protein 2, putative 0.003 0.0025 0.4236
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0162 0.023 0.4792
Schistosoma mansoni hypothetical protein 0.01 0.0134 0.1365
Loa Loa (eye worm) beta-lactamase 0.0069 0.0085 0.1764
Mycobacterium tuberculosis Possible transferase 0.003 0.0025 0.0023
Loa Loa (eye worm) hypothetical protein 0.0069 0.0085 0.1764
Plasmodium vivax dynactin subunit 5, putative 0.003 0.0025 0.1814
Echinococcus multilocularis histone acetyltransferase MYST2 0.0056 0.0066 0.0108
Entamoeba histolytica acetyltransferase, putative 0.003 0.0025 0.1129
Brugia malayi beta-lactamase family protein 0.0069 0.0085 0.1774
Loa Loa (eye worm) hypothetical protein 0.0138 0.0194 0.4033
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0438 0.0662 0.066
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0056 0.0066 0.0108
Loa Loa (eye worm) hypothetical protein 0.003 0.0025 0.0517
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0055 0.0552
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0069 0.0085 0.0083
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0003 0.0052
Brugia malayi hypothetical protein 0.003 0.0025 0.0528
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0102 0.0137 0.285
Echinococcus multilocularis lamin dm0 0.003 0.0025 0.004
Brugia malayi eIF4-gamma/eIF5/eIF2-epsilon family protein 0.003 0.0025 0.0528
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.003 0.0025 0.1264
Echinococcus granulosus mannose 1 phosphate guanyltransferase 0.003 0.0025 0.0255
Mycobacterium leprae conserved hypothetical protein 0.0069 0.0085 0.006
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0069 0.0085 0.0083
Trypanosoma brucei hypothetical protein, conserved 0.003 0.0025 0.2824
Schistosoma mansoni hypothetical protein 0.0102 0.0137 0.1392
Entamoeba histolytica ankyrin, putative 0.003 0.0025 0.1129
Trypanosoma brucei nucleotidyl transferase, putative 0.003 0.0025 0.2824
Onchocerca volvulus 0.0157 0.0223 1
Trichomonas vaginalis ap endonuclease, putative 0.0042 0.0043 0.2232
Echinococcus multilocularis geminin 0.0636 0.097 0.1604
Loa Loa (eye worm) TAR-binding protein 0.0071 0.0088 0.1826
Loa Loa (eye worm) hypothetical protein 0.005 0.0055 0.1142
Entamoeba histolytica serine acetyltransferase 1 0.003 0.0025 0.1129
Schistosoma mansoni hypothetical protein 0.031 0.0461 0.4743
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.01 0.0134 0.0221
Mycobacterium ulcerans non-ribosomal peptide synthetase 0.003 0.0025 0.0023
Loa Loa (eye worm) hypothetical protein 0.0069 0.0085 0.1764
Schistosoma mansoni apoptosis regulator bax 0.01 0.0134 0.1365
Brugia malayi zgc:92842 0.003 0.0025 0.0528
Entamoeba histolytica translation initiation factor eIF-2B epsilon subunit, putative 0.003 0.0025 0.1129
Brugia malayi mbt repeat family protein 0.005 0.0055 0.1153
Loa Loa (eye worm) MBCTL1 0.0056 0.0066 0.1366
Entamoeba histolytica bacterial transferase hexapeptide family protein 0.003 0.0025 0.1129
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0055 0.0564
Trypanosoma cruzi serine acetyltransferase, putative 0.003 0.0025 0.2824
Echinococcus granulosus muscleblind protein 0.0166 0.0237 0.2443
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0162 0.023 0.038
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0088 0.089
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0025 0.2824
Echinococcus multilocularis smad 0.0015 0.0002 0.0003
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0042 0.0043 0.4987
Brugia malayi exodeoxyribonuclease III family protein 0.0042 0.0043 0.0904
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0138 0.0194 0.404
Schistosoma mansoni myelin transcription factor 1 myt1 0.0056 0.0066 0.0662
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.01 0.0134 0.1376
Trypanosoma cruzi DNA polymerase eta, putative 0.0025 0.0017 0.1807
Mycobacterium tuberculosis Conserved protein 0.0069 0.0085 0.0083
Brugia malayi hypothetical protein 0.0022 0.0012 0.0252
Trypanosoma cruzi GDP-mannose pyrophosphorylase 0.003 0.0025 0.2824
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine pyrophosphorylase GlmU 0.6427 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0069 0.0085 0.4475
Mycobacterium tuberculosis Conserved hypothetical protein 0.1178 0.1816 0.1814
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0012 0.1234
Trichomonas vaginalis glucose-1-phosphate thymidylyltransferase, putative 0.003 0.0025 0.1264
Loa Loa (eye worm) hypothetical protein 0.0069 0.0085 0.1764
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0042 0.0043 0.0041
Echinococcus multilocularis muscleblind protein 0.0166 0.0237 0.0392
Loa Loa (eye worm) transcription factor SMAD2 0.0227 0.0332 0.6924
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0162 0.023 0.2356
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0088 0.089
Trypanosoma cruzi hypothetical protein, conserved 0.003 0.0025 0.2824
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0012 0.1234
Echinococcus granulosus beta LACTamase domain containing family member 0.0069 0.0085 0.0871
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0321 0.0479 1
Schistosoma mansoni hypothetical protein 0.0636 0.097 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0025 0.1264
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0069 0.0085 0.0859
Echinococcus granulosus mannose 1 phosphate guanyltransferase beta 0.003 0.0025 0.0255
Loa Loa (eye worm) hypothetical protein 0.0069 0.0085 0.1764
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0042 0.0043 0.0441
Echinococcus multilocularis musashi 0.003 0.0025 0.004
Mycobacterium tuberculosis Conserved hypothetical protein 0.003 0.0025 0.0023
Echinococcus granulosus survival motor neuron protein 1 0.0263 0.0389 0.4004
Mycobacterium tuberculosis Probable serine acetyltransferase CysE (sat) 0.003 0.0025 0.0023
Loa Loa (eye worm) apoptosis regulator protein 0.01 0.0134 0.2786
Echinococcus granulosus Smad4 0.0015 0.0002 0.0016
Brugia malayi Latrophilin receptor protein 2 0.0102 0.0137 0.285
Schistosoma mansoni hypothetical protein 0.022 0.0321 0.3293
Entamoeba histolytica hypothetical protein 0.0149 0.021 1
Trichomonas vaginalis mannose-1-phosphate guanyltransferase, putative 0.003 0.0025 0.1264
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0055 0.0552
Schistosoma mansoni lamin 0.003 0.0025 0.0237
Echinococcus multilocularis dna polymerase kappa 0.0015 0.0002 0.0002
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0321 0.0479 1
Toxoplasma gondii exonuclease III APE 0.0042 0.0043 0.0173
Schistosoma mansoni transcription factor LCR-F1 0.0149 0.021 0.2149
Leishmania major DNA polymerase eta, putative 0.0025 0.0017 0.1807
Trypanosoma cruzi hypothetical protein, conserved 0.0069 0.0085 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0025 0.0506
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0054 0.0062 0.1288
Schistosoma mansoni intermediate filament proteins 0.003 0.0025 0.0237
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0015 0.0002 0.0002
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0042 0.0043 0.4987
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0042 0.0043 0.0041
Mycobacterium ulcerans esterase/lipase LipP 0.0069 0.0085 0.0083
Echinococcus granulosus dna polymerase eta 0.0035 0.0033 0.0338
Schistosoma mansoni tar DNA-binding protein 0.0071 0.0088 0.089
Loa Loa (eye worm) hypothetical protein 0.0056 0.0066 0.1366
Trypanosoma cruzi serine acetyltransferase, putative 0.003 0.0025 0.2824
Brugia malayi MH2 domain containing protein 0.0015 0.0002 0.0044
Echinococcus granulosus lamin 0.003 0.0025 0.025
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.0033 0.3785
Loa Loa (eye worm) MH2 domain-containing protein 0.0227 0.0332 0.6924
Brugia malayi beta-lactamase 0.0069 0.0085 0.1774
Toxoplasma gondii GDP-D-mannose pyrophosphorylase 0.003 0.0025 0.0073
Schistosoma mansoni smad1 5 8 and 0.0015 0.0002 0.0003
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0204 0.0296 0.0488
Brugia malayi hypothetical protein 0.003 0.0025 0.0528
Loa Loa (eye worm) MH1 domain-containing protein 0.0015 0.0002 0.0032
Entamoeba histolytica acetyltransferase, putative 0.003 0.0025 0.1129
Trypanosoma brucei GDP-mannose pyrophosphorylase 0.003 0.0025 0.2824
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0042 0.0043 0.4281
Entamoeba histolytica maltose O-acetyltransferase, putative 0.003 0.0025 0.1129
Leishmania major hypothetical protein, conserved 0.003 0.0025 0.2824
Trypanosoma brucei DNA polymerase eta, putative 0.0035 0.0033 0.3785
Plasmodium vivax hypothetical protein, conserved 0.003 0.0025 0.1814
Trichomonas vaginalis sugar-1-phosphate guanyl transferase, putative 0.003 0.0025 0.1264
Mycobacterium tuberculosis Conserved protein 0.0069 0.0085 0.0083
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0069 0.0085 0.0859
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0102 0.0137 0.0225
Schistosoma mansoni DNA polymerase eta 0.0035 0.0033 0.0325
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0162 0.023 0.038
Mycobacterium tuberculosis Conserved protein 0.0069 0.0085 0.0083
Echinococcus granulosus smad 0.0015 0.0002 0.0016
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0162 0.023 0.2356
Trichomonas vaginalis maltose O-acetyltransferase, putative 0.003 0.0025 0.1264
Leishmania major serine acetyltransferase 0.003 0.0025 0.2824
Entamoeba histolytica acetyltransferase, putative 0.003 0.0025 0.1129
Toxoplasma gondii eukaryotic initiation factor-2B, epsilon subunit, putative 0.003 0.0025 0.0073
Loa Loa (eye worm) hypothetical protein 0.0035 0.0033 0.0684
Plasmodium falciparum dynactin subunit 5, putative 0.003 0.0025 0.4236
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.3889 0.6042 1
Schistosoma mansoni smad1 5 8 and 0.0015 0.0002 0.0003
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0015 0.0002 0.0003
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0015 0.0002 0.0003
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0056 0.0066 0.1376
Brugia malayi RNA recognition motif domain containing protein 0.0071 0.0088 0.1836
Brugia malayi ImpB/MucB/SamB family protein 0.0015 0.0002 0.0038
Leishmania major hypothetical protein, conserved 0.0022 0.0012 0.1234
Brugia malayi Muscleblind-like protein 0.0166 0.0237 0.4954
Plasmodium vivax mannose-1-phosphate guanyltransferase, putative 0.003 0.0025 0.1814
Mycobacterium leprae Probable lipase LipE 0.0069 0.0085 0.006
Trichomonas vaginalis penicillin-binding protein, putative 0.0069 0.0085 0.4475
Brugia malayi MH2 domain containing protein 0.0015 0.0002 0.0044
Schistosoma mansoni hypothetical protein 0.01 0.0134 0.1365
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0102 0.0137 0.1403
Mycobacterium ulcerans d-alpha-D-mannose-1-phosphate guanylyltransferase ManB 0.003 0.0025 0.0023
Echinococcus multilocularis survival motor neuron protein 1 0.0263 0.0389 0.0642
Schistosoma mansoni gdp-mannose pyrophosphorylase b isoform 2 0.003 0.0025 0.0243
Onchocerca volvulus 0.0069 0.0085 0.304
Trypanosoma cruzi hypothetical protein 0.003 0.0025 0.2824
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.01 0.0134 0.1376
Toxoplasma gondii eukaryotic initiation factor-2B, gamma subunit, putative 0.1178 0.1816 1
Loa Loa (eye worm) hypothetical protein 0.0157 0.0223 0.4643
Brugia malayi beta-lactamase family protein 0.0069 0.0085 0.1774
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0162 0.023 0.4798
Schistosoma mansoni hypothetical protein 0.003 0.0025 0.0243
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0015 0.0002 0.0026
Brugia malayi cytoplasmic intermediate filament protein 0.0016 0.0003 0.0064
Brugia malayi hypothetical protein 0.0263 0.0389 0.8111
Loa Loa (eye worm) hypothetical protein 0.003 0.0025 0.0506
Echinococcus granulosus histone acetyltransferase MYST2 0.0056 0.0066 0.0674
Trypanosoma brucei hypothetical protein, conserved 0.003 0.0025 0.2824
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0025 0.0017 0.0026
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0042 0.0043 0.0893
Brugia malayi MH1 domain containing protein 0.0015 0.0002 0.0044
Schistosoma mansoni hypothetical protein 0.0636 0.097 1
Trichomonas vaginalis D-aminoacylase, putative 0.0069 0.0085 0.4475
Trichomonas vaginalis penicillin-binding protein, putative 0.0069 0.0085 0.4475
Loa Loa (eye worm) nucleotidyl transferase 0.003 0.0025 0.0517
Loa Loa (eye worm) hypothetical protein 0.01 0.0134 0.2786
Onchocerca volvulus 0.0069 0.0085 0.304
Loa Loa (eye worm) hypothetical protein 0.0022 0.0012 0.0241
Entamoeba histolytica acetyltransferase, putative 0.003 0.0025 0.1129
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0056 0.0066 0.0674
Brugia malayi mbt repeat family protein 0.005 0.0055 0.1153
Schistosoma mansoni survival motor neuron protein 0.0054 0.0062 0.0619
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0069 0.0085 0.1764
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0042 0.0043 0.4987
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0042 0.0043 0.0018
Echinococcus multilocularis dna polymerase eta 0.0035 0.0033 0.0054
Leishmania major GDP-mannose pyrophosphorylase 0.003 0.0025 0.2824

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.06 uM Inhibition of human recombinant MCL-1 (174 to 236) expressed in Escherichia coli BL21(DE3) using 6FAM-GELEVEFATQLRRFGDKLN as substrate after 15 mins by fluorescence polarization Assay ChEMBL. 24582986

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

1 literature reference was collected for this gene.

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