TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 926.239 | Formula: C49H83N9O8
H donors: 9 H acceptors: 8 LogP: 5.07 Rotable bonds: 39
Rule of 5 violations (Lipinski): 3
SMILES: NCCCC[C@@H](C(=O)NCCCC(Nc1cc(OC)cc2c1nccc2)C)NC(=O)[C@@H](NC(=O)CCC(=O)N[C@H](C(=O)N[C@H]([C@H](CC(=O)NCCCC)O)CC(C)C)[C@@H](CC)C)CC(C)C
InChi: 1S/C49H83N9O8/c1-10-12-23-51-44(62)30-41(59)38(26-31(3)4)57-49(65)45(33(7)11-2)58-43(61)21-20-42(60)55-40(27-32(5)6)48(64)56-37(19-13-14-22-50)47(63)53-25-15-17-34(8)54-39-29-36(66-9)28-35-18-16-24-52-46(35)39/h16,18,24,28-29,31-34,37-38,40-41,45,54,59H,10-15,17,19-23,25-27,30,50H2,1-9H3,(H,51,62)(H,53,63)(H,55,60)(H,56,64)(H,57,65)(H,58,61)/t33-,34?,37+,38+,40+,41+,45+/m1/s1
InChiKey: UYPPGXPKTHZAOL-AZVQXHERSA-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
Plasmodium falciparum	plasmepsin II	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	plasmepsin	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium hominis	aspartyl protease precursor	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	aspartyl proteinase, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl protease ASP1	Get druggable targets OG5_126885	All targets in OG5_126885
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	cathepsin E, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Neospora caninum	Renin, related	Get druggable targets OG5_126885	All targets in OG5_126885
Candida albicans	vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C)	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	cathepsin D (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Neospora caninum	Pepsinogen A1, related	Get druggable targets OG5_126885	All targets in OG5_126885
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	Get druggable targets OG5_126885	All targets in OG5_126885
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin II	Get druggable targets OG5_126885	All targets in OG5_126885
Cryptosporidium parvum	membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin I	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	Cathepsin D precursor, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium vivax	plasmepsin IV, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Theileria parva	pepsinogen, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium falciparum	plasmepsin IV	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium knowlesi	aspartyl protease, putative	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium berghei	plasmepsin VI	Get druggable targets OG5_126885	All targets in OG5_126885
Loa Loa (eye worm)	aspartic protease BmAsp-2	Get druggable targets OG5_126885	All targets in OG5_126885
Babesia bovis	eukaryotic aspartyl protease family protein	Get druggable targets OG5_126885	All targets in OG5_126885
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126885	All targets in OG5_126885
Schistosoma japonicum	ko:K01379 cathepsin D [EC3.4.23.5], putative	Get druggable targets OG5_126885	All targets in OG5_126885
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	Get druggable targets OG5_126885	All targets in OG5_126885

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
Plasmodium falciparum	plasmepsin X	0.0021	0.0202	0.0403
Toxoplasma gondii	aspartyl protease	0.0021	0.0202	0.0379
Plasmodium falciparum	plasmepsin VI	0.0088	0.1043	0.2255
Schistosoma mansoni	Smad4	0.0009	0.0057	0.0098
Schistosoma mansoni	hypothetical protein	0.035	0.4296	0.7378
Trypanosoma brucei	Voltage-gated Chloride channel Like 1	0.0023	0.0233	0.0444
Brugia malayi	MH1 domain containing protein	0.0009	0.0057	0.0106
Loa Loa (eye worm)	kap beta 3 protein	0.0006	0.0019	0.0028
Schistosoma mansoni	AMP-activated protein kinase gamma regulatory subunit	0.0023	0.0233	0.0401
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0088	0.1043	0.2141
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0233	0.047
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0348	0.0707
Schistosoma mansoni	hypothetical protein	0.0018	0.0165	0.0283
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0395	0.4853	1
Echinococcus multilocularis	tar DNA binding protein	0.0072	0.0838	0.0821
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0021	0.0202	0.0406
Leishmania major	chloride channel protein, putative	0.0023	0.0233	0.0444
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0034	0.0145
Brugia malayi	MH2 domain containing protein	0.0009	0.0057	0.0106
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0072	0.0838	0.1717
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0395	0.4853	0.8329
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0069	0.0803	0.138
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0043	0.0041
Brugia malayi	ancient conserved domain protein 2	0.0023	0.0233	0.047
Plasmodium falciparum	plasmepsin II	0.0088	0.1043	0.2255
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0034	0.0145
Echinococcus multilocularis	p2X purinoceptor 4	0.0473	0.5823	0.5815
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0233	0.047
Onchocerca volvulus		0.0023	0.0233	0.0176
Plasmodium vivax	aspartyl protease, putative	0.0021	0.0202	0.0403
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0062	0.0711	0.1433
Toxoplasma gondii	CBS family protein	0.0023	0.0233	0.0444
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0165	0.0329
Echinococcus granulosus	cpg binding protein	0.0035	0.0371	0.0607
Onchocerca volvulus	Putative GMP reductase	0.0164	0.1983	1
Plasmodium vivax	aspartyl proteinase, putative	0.0088	0.1043	0.2255
Brugia malayi	RNA recognition motif domain containing protein	0.0072	0.0838	0.1717
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0067	0.0128
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0395	0.4853	1
Loa Loa (eye worm)	Smad1	0.0009	0.0057	0.0106
Schistosoma mansoni	smad	0.0009	0.0057	0.0098
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0088	0.1043	0.1791
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0348	0.0707
Plasmodium falciparum	importin beta, putative	0.0033	0.035	0.0728
Leishmania major	chloride channel protein, putative	0.0023	0.0233	0.0444
Schistosoma mansoni	hypothetical protein	0.0018	0.0165	0.0283
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0034	0.0145
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0838	0.1439
Brugia malayi	TAR-binding protein	0.0072	0.0838	0.1717
Schistosoma mansoni	cpg binding protein	0.0035	0.0371	0.0637
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.1131	0.1942
Schistosoma mansoni	cpg binding protein	0.0033	0.0348	0.0598
Schistosoma mansoni	P2X receptor subunit	0.0473	0.5823	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0009	0.0057	0.0106
Echinococcus multilocularis	H(+):Cl() exchange transporter 3	0.0023	0.0233	0.0215
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0165	0.0146
Plasmodium falciparum	plasmepsin IV	0.0088	0.1043	0.2255
Echinococcus granulosus	p2X purinoceptor 4	0.0473	0.5823	1
Echinococcus multilocularis	5' AMP activated protein kinase subunit gamma	0.0023	0.0233	0.0215
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.1131	0.1114
Schistosoma mansoni	hypothetical protein	0.0039	0.0424	0.0728
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0647	0.1323
Brugia malayi	kap beta 3 protein	0.0006	0.0019	0.0028
Loa Loa (eye worm)	GMP reductase	0.0164	0.1983	0.4079
Leishmania major	guanosine monophosphate reductase	0.0395	0.4853	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0202	0.0347
Plasmodium falciparum	plasmepsin III	0.0021	0.0202	0.0403
Brugia malayi	MH1 domain containing protein	0.0009	0.0057	0.0106
Schistosoma mansoni	P2X receptor subunit	0.0473	0.5823	1
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0395	0.4853	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0034	0.0145
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.1131	0.1916
Plasmodium falciparum	plasmepsin IX	0.0021	0.0202	0.0403
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0057	0.0647	0.1323
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0242	0.0223
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0027	0.0272	0.0085
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0066	0.0125
Toxoplasma gondii	CBS domain-containing protein	0.0023	0.0233	0.0444
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0024	0.0242	0.0491
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0096	0.1131	0.2322
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0838	0.1439
Echinococcus granulosus	mothers against decapentaplegic 5	0.0009	0.0057	0.0065
Schistosoma mansoni	AMP-activated protein kinase gamma regulatory subunit	0.0023	0.0233	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0424	0.0863
Brugia malayi	Pepsin A precursor	0.0021	0.0202	0.0406
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.035	0.4296	0.8851
Schistosoma mansoni	ran	0.0024	0.0242	0.0415
Toxoplasma gondii	chloride transporter, chloride channel (ClC) family protein	0.0023	0.0233	0.0444
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0021	0.0202	0.0406
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0233	0.047
Plasmodium vivax	aspartyl protease, putative	0.0021	0.0202	0.0403
Entamoeba histolytica	hypothetical protein	0.0027	0.0272	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0009	0.0057	0.0065
Chlamydia trachomatis	CBS domain-containing protein	0.0023	0.0233	0.5
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0395	0.4853	0.4844
Echinococcus granulosus	smad	0.0009	0.0057	0.0065
Loa Loa (eye worm)	TAR-binding protein	0.0072	0.0838	0.1717
Trichomonas vaginalis	helicase, putative	0.0007	0.0034	0.0145
Chlamydia trachomatis	GutQ/KpsF family sugar-phosphate isomerase	0.0023	0.0233	0.5
Schistosoma mansoni	hypothetical protein	0.0018	0.0165	0.0283
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0088	0.1043	0.1765
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0034	0.0145
Echinococcus granulosus	Smad4	0.0009	0.0057	0.0065
Echinococcus granulosus	dnaJ subfamily B	0.0465	0.5728	0.9836
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0242	0.0488
Brugia malayi	MH2 domain containing protein	0.0009	0.0057	0.0106
Toxoplasma gondii	CBS domain-containing protein	0.0023	0.0233	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0202	0.0406
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0371	0.4562	1
Trypanosoma brucei	Voltage-gated Chloride channel Like 3	0.0023	0.0233	0.0444
Trypanosoma brucei	GMP reductase	0.0395	0.4853	1
Toxoplasma gondii	aspartyl protease ASP1	0.0088	0.1043	0.2119
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0242	0.0488
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0202	0.0347
Plasmodium falciparum	plasmepsin VII	0.0021	0.0202	0.0403
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0838	0.1439
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0165	0.0252
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0009	0.0057	0.0038
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0202	0.0347
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0088	0.1043	0.2119
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0088	0.1043	0.1026
Plasmodium vivax	importin-beta 2, putative	0.0033	0.035	0.0728
Echinococcus multilocularis	p2X purinoceptor 4	0.0473	0.5823	0.5815
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0034	0.0145
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0395	0.4853	1
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0165	0.0146
Brugia malayi	hypothetical protein	0.0021	0.0202	0.0406
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0034	0.0145
Loa Loa (eye worm)	importin-beta domain-containing protein	0.0006	0.0019	0.0028
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0043	0.0041
Plasmodium falciparum	protein MAM3, putative	0.0023	0.0233	0.0472
Plasmodium vivax	aspartyl protease, putative	0.0021	0.0202	0.0403
Trypanosoma cruzi	GMP reductase	0.0395	0.4853	1
Brugia malayi	hypothetical protein	0.0021	0.0202	0.0406
Brugia malayi	GMP reductase	0.0164	0.1983	0.4079
Plasmodium vivax	aspartyl proteinase, putative	0.0021	0.0202	0.0403
Plasmodium falciparum	plasmepsin VIII, putative	0.0021	0.0202	0.0403
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0242	0.0384
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0395	0.4853	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0034	0.0145
Echinococcus granulosus	5' AMP activated protein kinase subunit gamma	0.0023	0.0233	0.037
Loa Loa (eye worm)	transcription factor SMAD2	0.0136	0.1631	0.3352
Chlamydia trachomatis	Mg++ transporter	0.0023	0.0233	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0165	0.0329
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0057	0.0098
Plasmodium falciparum	plasmepsin I	0.0088	0.1043	0.2255
Brugia malayi	MH2 domain containing protein	0.0136	0.1631	0.3352
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0202	0.0347
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.035	0.0684
Brugia malayi	RNA binding protein	0.0072	0.0838	0.1717
Loa Loa (eye worm)	chloride channel 3	0.0023	0.0233	0.047
Trypanosoma brucei	AMP-activated protein kinase, gamma regulatory subunit	0.0023	0.0233	0.0444
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0371	0.4562	0.9369
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0034	0.0145
Brugia malayi	inosine-5'-monophosphate dehydrogenase family protein	0.0395	0.4853	1
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0024	0.0242	0.0461
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0165	0.0329
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0272	0.2476
Schistosoma mansoni	AMP-activated protein kinase gamma regulatory subunit	0.0023	0.0233	0.0401
Echinococcus granulosus	GPCR family 2	0.0018	0.0165	0.0252
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0165	0.0252
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0034	0.0145
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0034	0.0145
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.1131	0.1942
Brugia malayi	Voltage gated chloride channel family protein	0.0023	0.0233	0.047
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0233	0.047
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0096	0.1131	0.1942
Echinococcus multilocularis	snurportin 1	0.035	0.4296	0.4286
Trichomonas vaginalis	ran, putative	0.0024	0.0242	0.2178
Toxoplasma gondii	aspartyl protease ASP3	0.0021	0.0202	0.0379
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0043	0.0024
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0043	0.0073
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0009	0.0057	0.0098
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0202	0.0347
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0202	0.0347
Echinococcus granulosus	SNF4:AMP activated protein kinase gamma subunit	0.0023	0.0233	0.037
Loa Loa (eye worm)	aspartyl protease 6	0.0021	0.0202	0.0406
Schistosoma mansoni	chloride channel protein	0.0023	0.0233	0.0401
Toxoplasma gondii	HEAT repeat-containing protein	0.0033	0.035	0.0684
Mycobacterium leprae	PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD)	0.0187	0.2274	0.4418
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0395	0.4853	0.8334
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.035	0.0684
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0187	0.2274	0.4418
Echinococcus granulosus	H:Cl exchange transporter 7	0.0023	0.0233	0.037
Echinococcus granulosus	p2X purinoceptor 4	0.0473	0.5823	1
Brugia malayi	aspartic protease BmAsp-2, identical	0.0021	0.0202	0.0406
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0096	0.1131	0.1114
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0024	0.0242	0.0461
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0096	0.1131	0.2322
Plasmodium vivax	plasmepsin V, putative	0.0021	0.0202	0.0403
Leishmania major	importin beta-1 subunit, putative	0.0027	0.0272	0.0525
Echinococcus multilocularis	H(+):Cl() exchange transporter 4	0.0023	0.0233	0.0215
Loa Loa (eye worm)	chloride channel protein 7	0.0023	0.0233	0.047
Brugia malayi	ancient conserved domain protein 4	0.0023	0.0233	0.047
Brugia malayi	aspartic protease BmAsp-1, identical	0.0021	0.0202	0.0406
Echinococcus multilocularis	dnaJ subfamily B	0.0465	0.5728	0.572
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0067	0.0049
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0034	0.0145
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0067	0.0084
Leishmania major	CBS domain protein, conserved	0.0023	0.0233	0.0444
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0207	0.252	0.4951
Plasmodium falciparum	plasmepsin V	0.0021	0.0202	0.0403
Echinococcus granulosus	H:Cl exchange transporter 4	0.0023	0.0233	0.037
Brugia malayi	RNA, U transporter 1	0.0093	0.1102	0.2261
Echinococcus granulosus	H:Cl exchange transporter 3	0.0023	0.0233	0.037
Echinococcus multilocularis	SNF4:AMP activated protein kinase gamma subunit	0.0023	0.0233	0.0215
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0202	0.0347
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.0242	1
Leishmania major	GTP-binding protein, putative	0.0024	0.0242	0.0461
Brugia malayi	CBS domain containing protein	0.0023	0.0233	0.047
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0024	0.0242	0.0491
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0043	0.0024
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0034	0.0145
Leishmania major	hypothetical protein, conserved	0.0023	0.0233	0.0444
Schistosoma mansoni	P2X receptor subunit	0.0473	0.5823	1
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0034	0.0145
Toxoplasma gondii	IMP dehydrogenas	0.0395	0.4853	1
Schistosoma mansoni	P2X receptor subunit	0.0473	0.5823	1
Brugia malayi	loechrig isoform VII	0.0023	0.0233	0.047
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0034	0.0145
Brugia malayi	chloride channel protein 7	0.0023	0.0233	0.047
Entamoeba histolytica	Ran family GTPase	0.0024	0.0242	0.8795
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0165	0.0146
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0242	0.0019
Echinococcus multilocularis	H(+):Cl() exchange transporter 7	0.0023	0.0233	0.0215
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0371	0.4562	1
Echinococcus granulosus	AMP activated protein kinase gamma regulatory	0.0023	0.0233	0.037
Plasmodium vivax	plasmepsin IV, putative	0.0088	0.1043	0.2255
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0034	0.0145
Schistosoma mansoni	chloride channel protein	0.0023	0.0233	0.0401
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0164	0.1983	0.4079
Schistosoma mansoni	hypothetical protein	0.0018	0.0165	0.0283
Brugia malayi	Importin beta-1 subunit	0.0033	0.035	0.071
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0057	0.0647	0.1323
Echinococcus multilocularis	Smad4	0.0009	0.0057	0.0038
Schistosoma mansoni	ran	0.0024	0.0242	0.0415
Schistosoma mansoni	cpg binding protein	0.0035	0.0371	0.0637
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0838	0.1439
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0057	0.0647	0.1323
Echinococcus multilocularis	p2X purinoceptor 4	0.0473	0.5823	0.5815
Loa Loa (eye worm)	hypothetical protein	0.0033	0.035	0.071
Echinococcus granulosus	p2X purinoceptor 4	0.0473	0.5823	1
Echinococcus multilocularis	importin subunit beta 1	0.0033	0.035	0.0331
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.0207	0.252	0.4951
Schistosoma mansoni	cathepsin D (A01 family)	0.0088	0.1043	0.1791
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0021	0.0202	0.0379
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0034	0.0145
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0165	0.0329
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0272	0.2476
Loa Loa (eye worm)	MH2 domain-containing protein	0.0009	0.0057	0.0106
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0057	0.0098
Loa Loa (eye worm)	MH2 domain-containing protein	0.0136	0.1631	0.3352
Echinococcus granulosus	tar DNA binding protein	0.0072	0.0838	0.1411
Trypanosoma cruzi	GMP reductase	0.0395	0.4853	1
Schistosoma mansoni	cathepsin D (A01 family)	0.0088	0.1043	0.1791
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0242	0.0019
Brugia malayi	CLC chloride channel protein	0.0023	0.0233	0.047
Schistosoma mansoni	importin beta-1	0.0033	0.035	0.06
Leishmania major	inosine-5-monophosphate dehydrogenase	0.0395	0.4853	1
Schistosoma mansoni	hypothetical protein	0.0465	0.5728	0.9836
Treponema pallidum	hemolysin (tlyC)	0.0023	0.0233	0.5
Echinococcus multilocularis	smad	0.0009	0.0057	0.0038
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0395	0.4853	1
Trypanosoma cruzi	inosine-5'-monophosphate dehydrogenase, putative	0.0395	0.4853	1
Schistosoma mansoni	smad1 5 8 and	0.0009	0.0057	0.0098
Echinococcus multilocularis	cpg binding protein	0.0035	0.0371	0.0353
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0202	0.0406
Schistosoma mansoni	importin-beta 2	0.0006	0.0019	0.0032
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0088	0.1043	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0096	0.1131	0.1916
Loa Loa (eye worm)	loechrig isoform VII	0.0023	0.0233	0.047
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0009	0.0057	0.0038
Onchocerca volvulus		0.0033	0.0348	0.0819
Schistosoma mansoni	protein kinase subunit gamma	0.0023	0.0233	0.0401
Echinococcus granulosus	snurportin 1	0.035	0.4296	0.7369
Echinococcus granulosus	importin subunit beta 1	0.0033	0.035	0.057
Brugia malayi	inosine-5'-monophosphate dehydrogenase	0.0164	0.1983	0.4079
Treponema pallidum	Mg2+ transport protein (mgtE)	0.0023	0.0233	0.5
Trichomonas vaginalis	importin beta-1, putative	0.0027	0.0272	0.2476
Brugia malayi	Smad1	0.0009	0.0057	0.0106
Schistosoma mansoni	tar DNA-binding protein	0.0072	0.0838	0.1439
Loa Loa (eye worm)	RNA binding protein	0.0072	0.0838	0.1717
Schistosoma mansoni	chloride channel protein	0.0023	0.0233	0.0401
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0424	0.0863
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0395	0.4853	1
Trypanosoma brucei	inosine-5'-monophosphate dehydrogenase	0.0395	0.4853	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0021	0.0202	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0088	0.1043	0.2141
Schistosoma mansoni	memapsin-2 (A01 family)	0.0021	0.0202	0.0347

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 396 nM	In vitro concentration required for inhibition of plasmodium falciparum plasmepsin II	ChEMBL.	15125962
Inhibition (functional)	= 20 %	In vitro inhibitory activity towards human red blood cells infected with chloroquine-sensitive (D10) strains of P. falciparum at a concentration of 9 uM	ChEMBL.	15125962
Inhibition (functional)	= 40 %	In vitro inhibitory activity towards human red blood cells infected with chloroquine-resistant (W2) strains of P. falciparum at a concentration of 9 uM	ChEMBL.	15125962

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

ChEMBL: CHEMBL1790775

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1213089