TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 566.712 | Formula: C30H38N4O5S
H donors: 0 H acceptors: 5 LogP: 3.65 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: C[C@@H]1[C@@H]([C@@H]1C)C(=O)N1[C@H]2CCN([C@@H]2[C@@H](C1=O)C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2c1cccc2N(C)C
InChi: 1S/C30H38N4O5S/c1-17-18(2)26(17)30(37)34-23-14-16-32(27(23)19(3)28(34)35)29(36)24-12-8-15-33(24)40(38,39)25-13-7-9-20-21(25)10-6-11-22(20)31(4)5/h6-7,9-11,13,17-19,23-24,26-27H,8,12,14-16H2,1-5H3/t17-,18+,19-,23-,24-,26-,27+/m0/s1
InChiKey: ZJAYAXBPMCLKGE-HDKGHHFJSA-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
Human rhinovirus sp.	Human rhinovirus A protease	Starlite/ChEMBL	References
Human cytomegalovirus (strain AD169) (HHV-5) (Human herpesvirus 5)	Human herpes virus 5 capsid protein P40	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
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0196	0.0648	0.0648
Echinococcus granulosus	Niemann Pick C1 protein	0.0193	0.0637	0.0637
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0096	0.0259	0.0259
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.0266	0.026
Schistosoma mansoni	hypothetical protein	0.0332	0.1179	0.1179
Loa Loa (eye worm)	hypothetical protein	0.0137	0.042	0.0415
Toxoplasma gondii	DNA polymerase	0.2594	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0058	0.0058
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0078	0.0188	0.0165
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0023	0.0018
Schistosoma mansoni	hypothetical protein	0.0067	0.0145	0.0145
Echinococcus multilocularis	geminin	0.0332	0.1179	0.1179
Brugia malayi	beta-lactamase	0.0035	0.0023	0.0018
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0188	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0193	0.0637	0.0632
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0023	0.0232
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0445	0.162	0.1615
Brugia malayi	beta-lactamase family protein	0.0035	0.0023	0.0018
Plasmodium falciparum	plasmepsin X	0.0096	0.0259	0.0253
Brugia malayi	beta-lactamase family protein	0.0035	0.0023	0.0018
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0096	0.0259	0.0253
Plasmodium vivax	DNA polymerase zeta catalytic subunit, putative	0.0856	0.3223	0.3219
Schistosoma mansoni	hypothetical protein	0.0031	0.0005	0.0005
Echinococcus granulosus	dna polymerase epsilon catalytic subunit a	0.0856	0.3223	0.3223
Echinococcus granulosus	geminin	0.0332	0.1179	0.1179
Plasmodium vivax	plasmepsin IV, putative	0.0405	0.1466	0.1461
Plasmodium vivax	DNA polymerase epsilon, catalytic subunit a, putative	0.0856	0.3223	0.3219
Brugia malayi	Niemann-Pick C1 protein precursor	0.0193	0.0637	0.0632
Schistosoma mansoni	cathepsin D (A01 family)	0.1195	0.4546	0.4546
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0058	0.0053
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0058	0.0058
Plasmodium falciparum	DNA polymerase epsilon catalytic subunit A, putative	0.0475	0.1738	0.1733
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0188	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0077	0.0072
Echinococcus granulosus	sterol regulatory element binding protein	0.0083	0.0207	0.0207
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0023	0.0018
Trichomonas vaginalis	DNA polymerase delta catalytic subunit, putative	0.0856	0.3223	0.3207
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0023	0.0232
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0078	0.0188	0.0165
Toxoplasma gondii	aspartyl protease ASP1	0.0405	0.1466	0.1461
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0023	0.0018
Schistosoma mansoni	hypothetical protein	0.008	0.0196	0.0196
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0058	0.0053
Brugia malayi	DNA polymerase family B containing protein	0.0856	0.3223	0.3219
Loa Loa (eye worm)	DNA polymerase epsilon catalytic subunit	0.0381	0.137	0.1365
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0023	0.0018
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0023	0.0018
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0023	0.0023
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.0266	0.026
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0259	0.0253
Trypanosoma cruzi	DNA polymerase I alpha catalytic subunit, putative	0.0856	0.3223	0.3219
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0188	0.0165
Plasmodium falciparum	plasmepsin VII	0.0096	0.0259	0.0253
Onchocerca volvulus	DNA polymerase alpha catalytic subunit homolog	0.0856	0.3223	0.3207
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0405	0.1466	0.1466
Plasmodium falciparum	plasmepsin IV	0.0405	0.1466	0.1461
Brugia malayi	Pepsin A precursor	0.0096	0.0259	0.0253
Entamoeba histolytica	DNA polymerase zeta catalytic subunit, putative	0.0381	0.137	0.0783
Plasmodium falciparum	DNA polymerase delta catalytic subunit	0.2594	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0023	0.0018
Trypanosoma brucei	DNA polymerase delta catalytic subunit, putative	0.2594	1	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0023	0.0232
Trypanosoma cruzi	DNA polymerase delta catalytic subunit, putative	0.2119	0.8147	0.8146
Schistosoma mansoni	neuropeptide receptor	0.071	0.2653	0.2653
Trypanosoma cruzi	DNA polymerase zeta catalytic subunit, putative	0.0381	0.137	0.1365
Leishmania major	hypothetical protein, conserved	0.0035	0.0023	0.0018
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0188	0.0165
Echinococcus multilocularis	protein patched	0.0083	0.0207	0.0207
Echinococcus granulosus	Niemann Pick C1 protein	0.0276	0.0959	0.0959
Toxoplasma gondii	DNA polymerase (pol2) superfamily protein	0.0856	0.3223	0.3219
Echinococcus granulosus	neuropeptide receptor	0.071	0.2653	0.2653
Loa Loa (eye worm)	hypothetical protein	0.0475	0.1738	0.1733
Trichomonas vaginalis	DNA polymerase alpha catalytic subunit, putative	0.0856	0.3223	0.3207
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0188	0.0165
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0058	0.0058
Brugia malayi	glutaminase DH11.1	0.0269	0.0935	0.0931
Echinococcus multilocularis	DNA polymerase delta catalytic subunit	0.2594	1	1
Echinococcus multilocularis	dna polymerase epsilon catalytic subunit a	0.0856	0.3223	0.3223
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0023	0.0023
Loa Loa (eye worm)	DNA-directed DNA polymerase III	0.2594	1	1
Brugia malayi	aspartic protease BmAsp-2, identical	0.0096	0.0259	0.0253
Trypanosoma cruzi	PAB1-binding protein , putative	0.0049	0.0077	0.0072
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0031	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0023	0.0018
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0077	0.0072
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0405	0.1466	0.1466
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.0266	0.026
Trypanosoma brucei	DNA polymerase epsilon catalytic subunit, putative	0.0856	0.3223	0.3219
Plasmodium vivax	ataxin-2 like protein, putative	0.0049	0.0077	0.0072
Loa Loa (eye worm)	DNA polymerase epsilon catalytic subunit	0.0475	0.1738	0.1733
Trichomonas vaginalis	conserved hypothetical protein	0.0083	0.0207	0.0185
Schistosoma mansoni	DNA polymerase epsilon catalytic subunit	0.0856	0.3223	0.3223
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0058	0.0058
Plasmodium vivax	DNA polymerase alpha, putative	0.0856	0.3223	0.3219
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0266	0.026
Brugia malayi	hypothetical protein	0.0049	0.0077	0.0072
Brugia malayi	DNA polymerase family B, exonuclease domain containing protein	0.0856	0.3223	0.3219
Echinococcus granulosus	DNA polymerase alpha catalytic subunit	0.0856	0.3223	0.3223
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0031	0.0005	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0381	0.137	0.1365
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0096	0.0259	0.0259
Schistosoma mansoni	hypothetical protein	0.008	0.0196	0.0196
Echinococcus multilocularis	Niemann Pick C1 protein	0.0193	0.0637	0.0637
Plasmodium falciparum	DNA polymerase zeta catalytic subunit, putative	0.0381	0.137	0.1365
Giardia lamblia	DNA polymerase alpha subunit A	0.0381	0.137	0.1204
Echinococcus granulosus	DNA polymerase delta catalytic subunit	0.2594	1	1
Plasmodium falciparum	plasmepsin VI	0.0405	0.1466	0.1461
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0405	0.1466	0.1461
Onchocerca volvulus		0.0445	0.162	0.16
Trichomonas vaginalis	DNA polymerase zeta catalytic subunit, putative	0.2594	1	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0005	0.0005
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0096	0.0259	0.0259
Echinococcus multilocularis	expressed conserved protein	0.0181	0.0591	0.0591
Plasmodium vivax	aspartyl protease, putative	0.0096	0.0259	0.0253
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0091	0.0086
Trypanosoma cruzi	DNA polymerase delta catalytic subunit, putative	0.2594	1	1
Entamoeba histolytica	DNA polymerase alpha catalytic subunit, putative	0.0381	0.137	0.0783
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0031	0.0005	0.0005
Schistosoma mansoni	alzheimer's disease beta-amyloid related	0.0237	0.0808	0.0808
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0083	0.0207	0.0202
Schistosoma mansoni	DNA polymerase alpha catalytic subunit	0.0856	0.3223	0.3223
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0023	0.5
Loa Loa (eye worm)	hypothetical protein	0.0381	0.137	0.1365
Brugia malayi	CHE-14 protein	0.0083	0.0207	0.0202
Giardia lamblia	DNA polymerase delta, catalytic subunit	0.2594	1	1
Brugia malayi	Amyloid A4 extracellular domain containing protein	0.0649	0.2418	0.2414
Plasmodium falciparum	plasmepsin I	0.0405	0.1466	0.1461
Toxoplasma gondii	DNA polymerase family B protein	0.0856	0.3223	0.3219
Trypanosoma cruzi	DNA polymerase epsilon catalytic subunit, putative	0.0856	0.3223	0.3219
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0023	0.0023
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0005	0.0005
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0023	0.0018
Echinococcus granulosus	DNA polymerase zeta catalytic subunit	0.0856	0.3223	0.3223
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0058	0.0058
Brugia malayi	hypothetical protein	0.0096	0.0259	0.0253
Leishmania major	DNA polymerase delta catalytic subunit, putative	0.2594	1	1
Echinococcus granulosus	GPCR family 2	0.0031	0.0005	0.0005
Echinococcus multilocularis	Niemann Pick C1 protein	0.0276	0.0959	0.0959
Brugia malayi	hypothetical protein	0.0032	0.0009	0.0004
Toxoplasma gondii	ABC1 family protein	0.0035	0.0023	0.0018
Plasmodium falciparum	plasmepsin III	0.0096	0.0259	0.0253
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0096	0.0259	0.0253
Plasmodium falciparum	DNA polymerase alpha catalytic subunit A	0.0381	0.137	0.1365
Echinococcus multilocularis	protein dispatched 1	0.0094	0.0253	0.0253
Brugia malayi	DNA polymerase alpha catalytic subunit	0.0856	0.3223	0.3219
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0023	0.0018
Trichomonas vaginalis	DNA polymerase alpha catalytic subunit, putative	0.0475	0.1738	0.1719
Schistosoma mansoni	DNA polymerase zeta catalytic subunit	0.0856	0.3223	0.3223
Leishmania major	hypothetical protein, conserved	0.0049	0.0077	0.0072
Brugia malayi	aspartic protease BmAsp-1, identical	0.0096	0.0259	0.0253
Mycobacterium ulcerans	glutaminase	0.0269	0.0935	1
Trichomonas vaginalis	conserved hypothetical protein	0.0058	0.0112	0.0089
Onchocerca volvulus		0.0096	0.0259	0.0236
Plasmodium falciparum	plasmepsin II	0.0405	0.1466	0.1461
Trypanosoma brucei	DNA polymerase zeta catalytic subunit, putative	0.0856	0.3223	0.3219
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0023	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0023	0.0018
Schistosoma mansoni	cathepsin D (A01 family)	0.1195	0.4546	0.4546
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0031	0.0005	0.0005
Trichomonas vaginalis	DNA polymerase alpha catalytic subunit, putative	0.0856	0.3223	0.3207
Plasmodium vivax	aspartyl protease, putative	0.0096	0.0259	0.0253
Echinococcus multilocularis	neuropeptide receptor	0.071	0.2653	0.2653
Echinococcus multilocularis	DNA polymerase alpha catalytic subunit	0.0856	0.3223	0.3223
Toxoplasma gondii	DNA polymerase family B protein	0.0381	0.137	0.1365
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0096	0.0259	0.0259
Plasmodium falciparum	plasmepsin V	0.0096	0.0259	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0275	0.0957	0.0952
Schistosoma mansoni	hypothetical protein	0.0332	0.1179	0.1179
Leishmania major	DNA polymerase zeta catalytic subunit, putative	0.0381	0.137	0.1365
Trypanosoma cruzi	PAB1-binding protein , putative	0.0049	0.0077	0.0072
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0188	0.0165
Giardia lamblia	DNA polymerase epsilon, catalytic subunit	0.0856	0.3223	0.3093
Echinococcus multilocularis	DNA polymerase zeta catalytic subunit	0.0856	0.3223	0.3223
Plasmodium vivax	plasmepsin V, putative	0.0096	0.0259	0.0253
Brugia malayi	hypothetical protein	0.0445	0.162	0.1615
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0096	0.0259	0.0253
Toxoplasma gondii	LsmAD domain-containing protein	0.0049	0.0077	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0101	0.028	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0512	0.1881	0.1877
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0023	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0475	0.1738	0.1733
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0031	0.0005	0.0005
Schistosoma mansoni	memapsin-2 (A01 family)	0.0096	0.0259	0.0259
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0058	0.0058
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0188	0.0165
Plasmodium vivax	aspartyl protease, putative	0.0096	0.0259	0.0253
Leishmania major	DNA polymerase epsilon catalytic subunit, putative	0.0856	0.3223	0.3219
Echinococcus granulosus	Protein patched homolog 1	0.0083	0.0207	0.0207
Plasmodium vivax	aspartyl proteinase, putative	0.0096	0.0259	0.0253
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0188	0.0165
Loa Loa (eye worm)	aspartyl protease 6	0.0096	0.0259	0.0253
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0023	0.0018
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0116	0.0116
Trypanosoma brucei	DNA polymerase alpha catalytic subunit	0.0856	0.3223	0.3219
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0405	0.1466	0.1461
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0188	0.0165
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0023	0.0232
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0145	0.014
Trichomonas vaginalis	glutaminase, putative	0.0269	0.0935	0.0914
Toxoplasma gondii	aspartyl protease ASP3	0.0096	0.0259	0.0253
Schistosoma mansoni	hypothetical protein	0.0031	0.0005	0.0005
Plasmodium falciparum	plasmepsin IX	0.0096	0.0259	0.0253
Echinococcus multilocularis	sterol regulatory element binding protein	0.0083	0.0207	0.0207
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0096	0.0259	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0259	0.0253
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0096	0.0259	0.0259
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0096	0.0259	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0145	0.014
Echinococcus granulosus	expressed conserved protein	0.0181	0.0591	0.0591
Schistosoma mansoni	DNA polymerase delta catalytic subunit	0.2594	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0023	0.5
Schistosoma mansoni	patched 1	0.0083	0.0207	0.0207
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0023	0.0232
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0005	0.0005
Leishmania major	DNA polymerase I alpha catalytic subunit, putative	0.0856	0.3223	0.3219
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0023	0.0018
Plasmodium falciparum	plasmepsin VIII, putative	0.0096	0.0259	0.0253
Loa Loa (eye worm)	glutaminase 2	0.0269	0.0935	0.0931
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0023	0.0018
Entamoeba histolytica	DNA polymerase delta catalytic subunit, putative	0.2594	1	1
Loa Loa (eye worm)	hypothetical protein	0.0405	0.1466	0.1461
Trichomonas vaginalis	conserved hypothetical protein	0.0381	0.137	0.135
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0188	0.0165
Schistosoma mansoni	hypothetical protein	0.0031	0.0005	0.0005
Trypanosoma cruzi	DNA polymerase epsilon catalytic subunit, putative	0.0856	0.3223	0.3219
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0405	0.1466	0.1446
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0077	0.0072
Schistosoma mansoni	hypothetical protein	0.008	0.0196	0.0196
Onchocerca volvulus		0.0096	0.0259	0.0236
Schistosoma mansoni	glutaminase	0.0269	0.0935	0.0935
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0078	0.0188	0.0165
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0023	0.0232
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0405	0.1466	0.1466
Toxoplasma gondii	aspartyl protease	0.0096	0.0259	0.0253
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0188	0.0165
Loa Loa (eye worm)	hypothetical protein	0.0856	0.3223	0.3219
Onchocerca volvulus	DNA polymerase epsilon catalytic subunit A homolog	0.0856	0.3223	0.3207
Plasmodium vivax	DNA polymerase delta catalytic subunit, putative	0.2594	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0005	0.0005
Echinococcus multilocularis	G protein coupled receptor 139	0.071	0.2653	0.2653
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0023	0.0232
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0227	0.0769	1
Onchocerca volvulus	DNA polymerase delta catalytic subunit homolog	0.2594	1	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0207	0.0202
Plasmodium vivax	aspartyl proteinase, putative	0.0405	0.1466	0.1461
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0096	0.0259	0.0259
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0023	0.0023
Loa Loa (eye worm)	glutaminase	0.0269	0.0935	0.0931
Schistosoma mansoni	hypothetical protein	0.0031	0.0005	0.0005
Trichomonas vaginalis	DNA polymerase II, putative	0.0856	0.3223	0.3207
Onchocerca volvulus	DNA polymerase homolog	0.0856	0.3223	0.3207
Echinococcus multilocularis	isocitrate dehydrogenase	0.0031	0.0005	0.0005
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0031	0.0005	0.0005
Schistosoma mansoni	hypothetical protein	0.008	0.0196	0.0196
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0188	0.0165
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0023	0.0232
Trypanosoma brucei	PAB1-binding protein , putative	0.0049	0.0077	0.0072
Brugia malayi	hypothetical protein	0.0096	0.0259	0.0253
Trichomonas vaginalis	conserved hypothetical protein	0.0078	0.0188	0.0165

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 5.1 uM	Tested in vitro for inhibitory activity of the compound against Protease	ChEMBL.	12067545
IC50 (binding)	= 5.1 uM	Tested in vitro for inhibitory activity of the compound against Protease	ChEMBL.	12067545
Ki (binding)	= 1.1 uM	Tested in vitro for its binding affinity against Protease	ChEMBL.	12067545
Ki (binding)	= 1.1 uM	Tested in vitro for its binding affinity against Protease	ChEMBL.	12067545
T1/2 (ADMET)	= 20 hr	Half life of the compound in human plasma was reported	ChEMBL.	12067545

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: CHEMBL49877

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 70741