TDR Targets

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

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Ranking Plot

Putative Targets List

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

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

ChEMBL: CHEMBL3126310

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1822928