TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 628.597 | Formula: C34H27F3N4O5
H donors: 0 H acceptors: 4 LogP: 4.43 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: O=C1OCc2c(N1C1CCN(CC1)C(=O)c1ccc3c(c1)cc(o3)c1cccc(n1)Cn1cc(ccc1=O)C(F)(F)F)cccc2
InChi: 1S/C34H27F3N4O5/c35-34(36,37)24-9-11-31(42)40(18-24)19-25-5-3-6-27(38-25)30-17-23-16-21(8-10-29(23)46-30)32(43)39-14-12-26(13-15-39)41-28-7-2-1-4-22(28)20-45-33(41)44/h1-11,16-18,26H,12-15,19-20H2
InChiKey: USHOFLILTZQGQI-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	oxytocin receptor	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
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.219
Schistosoma mansoni	multidrug resistance protein	0.0024	0.0023	0.0721
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.219
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0089	0.013	0.4101
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0016	0.001	0.0804
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0053	0.007	0.2215
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0053	0.007	0.2215
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0029	0.219
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0024	0.0023	0.0721
Echinococcus multilocularis	multidrug resistance protein 1	0.0024	0.0023	0.0318
Schistosoma mansoni	DNA helicase recq5	0.001	0	0.0006
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.0089	0.013	0.0128
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.007	0.5402
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0058	0.184
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.005	0.0694
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0201	0.0313	1
Leishmania major	cytochrome p450-like protein	0.0011	0.0002	0.0067
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.007	0.5402
Schistosoma mansoni	organic anion transporter	0.0204	0.0317	1
Toxoplasma gondii	cysteine-tRNA synthetase (CysRS)	0.0089	0.013	0.4101
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Entamoeba histolytica	P-glycoprotein-5	0.0024	0.0023	0.1757
Brugia malayi	secreted modular calcium-binding protein 1	0.0107	0.0159	0.5014
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.219
Leishmania major	p-glycoprotein	0.0024	0.0023	0.0732
Brugia malayi	ABC transporter family protein	0.0024	0.0023	0.0721
Brugia malayi	Cathepsin L-like precursor	0.0053	0.007	0.2215
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.219
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0022	0.0707
Trichomonas vaginalis	abcb9, putative	0.0024	0.0023	0.1757
Leishmania major	cathepsin L-like protease	0.0201	0.0313	1
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0005	0.0155
Onchocerca volvulus		0.0024	0.0023	0.0721
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0201	0.0313	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0027	0.0029	0.0898
Brugia malayi	Cytochrome P450 family protein	0.003	0.0032	0.1022
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0201	0.0313	1
Echinococcus multilocularis	agrin	0.0107	0.0159	0.221
Schistosoma mansoni	DNA helicase recq1	0.001	0	0.0006
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0027	0.0029	0.0898
Brugia malayi	hypothetical protein	0.0204	0.0317	1
Plasmodium vivax	vivapain-3	0.0027	0.0029	0.219
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0204	0.0317	1
Trichomonas vaginalis	ABC transporter, putative	0.0024	0.0023	0.1757
Trichomonas vaginalis	DNA helicase recq1, putative	0.0024	0.0023	0.1774
Trichomonas vaginalis	cysteinyl-tRNA synthetase, putative	0.0089	0.013	1
Plasmodium vivax	multidrug resistance protein 1, putative	0.0024	0.0023	0.1757
Leishmania major	cathepsin L-like protease	0.0053	0.007	0.2249
Entamoeba histolytica	hypothetical protein	0.004	0.005	0.3837
Chlamydia trachomatis	cysteine--tRNA ligase	0.0089	0.013	1
Loa Loa (eye worm)	fibroinase	0.0053	0.007	0.2215
Loa Loa (eye worm)	ctsf protein	0.0053	0.007	0.2215
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0011	0.0002	0.0066
Echinococcus granulosus	cysteinyl tRNA synthetase	0.0089	0.013	0.4101
Trichomonas vaginalis	ABC transporter, putative	0.0024	0.0023	0.1757
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0	0.0006
Entamoeba histolytica	cysteinyl-tRNA synthetase, putative	0.0089	0.013	1
Schistosoma mansoni	blooms syndrome DNA helicase	0.0019	0.0015	0.0469
Loa Loa (eye worm)	hypothetical protein	0.012	0.018	0.5685
Leishmania major	cysteine peptidase A (CPA)	0.0053	0.007	0.2249
Echinococcus granulosus	cytochrome P450 2K1	0.0011	0.0002	0.0066
Onchocerca volvulus		0.0053	0.007	0.2215
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.219
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0	0.0006
Schistosoma mansoni	hypothetical protein	0.002	0.0016	0.0508
Onchocerca volvulus		0.0107	0.0159	0.5014
Leishmania major	cytochrome p450-like protein	0.003	0.0032	0.1038
Brugia malayi	prostaglandin transporter	0.0204	0.0317	1
Echinococcus granulosus	multidrug resistance protein 1	0.0024	0.0023	0.0721
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0011	0.0002	0.0067
Schistosoma mansoni	loxhd1	0.002	0.0016	0.0508
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0058	0.184
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Brugia malayi	SPARC precursor	0.0107	0.0159	0.5014
Brugia malayi	sodium-independent organic anion transporter family protein	0.0204	0.0317	1
Echinococcus granulosus	cathepsin l1	0.0053	0.007	0.2215
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0016	0.0224
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Leishmania major	cathepsin L-like protease	0.0201	0.0313	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0023	0.1757
Brugia malayi	Cathepsin L-like precursor	0.0053	0.007	0.2215
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Leishmania major	cytochrome p450-like protein	0.0011	0.0002	0.0067
Schistosoma mansoni	multidrug resistance protein	0.0024	0.0023	0.0721
Entamoeba histolytica	P-glyco protein 6, putative	0.0024	0.0023	0.1757
Loa Loa (eye worm)	cysteine protease	0.0053	0.007	0.2215
Schistosoma mansoni	cathepsin s	0.0017	0.0013	0.0397
Onchocerca volvulus		0.0035	0.0042	0.1317
Loa Loa (eye worm)	hypothetical protein	0.002	0.0016	0.0508
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.001	0	0.0015
Loa Loa (eye worm)	hypothetical protein	0.002	0.0016	0.0508
Leishmania major	cathepsin L-like protease	0.0201	0.0313	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0058	0.0811
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.219
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0029	0.219
Echinococcus granulosus	agrin	0.0107	0.0159	0.5014
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0011	0.0002	0.0066
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.007	0.5402
Plasmodium vivax	vivapain-2	0.0053	0.007	0.5402
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0024	0.0023	0.0721
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.219
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0024	0.0023	0.0721
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Echinococcus granulosus	multidrug resistance protein 1	0.0017	0.0011	0.0352
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0023	0.1757
Onchocerca volvulus		0.0053	0.007	0.2215
Echinococcus granulosus	multidrug resistance protein 1	0.0017	0.0011	0.0352
Brugia malayi	Cathepsin L-like precursor	0.0035	0.0042	0.1317
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0089	0.013	0.4101
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0058	0.184
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0058	0.184
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0024	0.0023	0.0721
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0024	0.0023	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0204	0.0317	1
Leishmania major	cathepsin L-like protease	0.0053	0.007	0.2249
Entamoeba histolytica	P-glycoprotein 5, putative	0.0024	0.0023	0.1757
Leishmania major	cathepsin L-like protease	0.0053	0.007	0.2249
Brugia malayi	Cathepsin L-like precursor	0.0053	0.007	0.2215
Echinococcus multilocularis	ATP binding cassette sub family B	0.0023	0.0022	0.0312
Schistosoma mansoni	cathepsin F (C01 family)	0.0053	0.007	0.2215
Loa Loa (eye worm)	hypothetical protein	0.0053	0.007	0.2215
Brugia malayi	Cathepsin L-like precursor	0.0053	0.007	0.2215
Onchocerca volvulus		0.0053	0.007	0.2215
Trypanosoma brucei	cytochrome P450, putative	0.003	0.0032	0.1038
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.219
Schistosoma mansoni	smdr2	0.0024	0.0023	0.0721
Echinococcus multilocularis	multidrug resistance protein 1	0.0024	0.0023	0.0318
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0029	0.219
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0005	0.0158
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0159	0.5014
Loa Loa (eye worm)	multidrug resistance protein 3	0.0024	0.0023	0.0721
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0011	0.0002	0.0066
Schistosoma mansoni	agrin	0.0107	0.0159	0.5014
Mycobacterium tuberculosis	Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.6129	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0024	0.0023	0.1757
Brugia malayi	hypothetical protein	0.0204	0.0317	1
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.219
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0	0.0003
Echinococcus multilocularis	cathepsin L cysteine protease	0.0053	0.007	0.0977
Trichomonas vaginalis	ABC transporter, putative	0.0024	0.0023	0.1757
Schistosoma mansoni	cytochrome P450	0.0011	0.0002	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0023	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0042	0.1317
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0201	0.0313	1
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0029	0.219
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0024	0.0023	0.1757
Loa Loa (eye worm)	hypothetical protein	0.0089	0.013	0.4101
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0053	0.007	0.5402
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0159	0.5014
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0013	0.0397
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0011	0.0002	0.0067
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.219
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0024	0.0023	0.0318
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0017	0.0013	0.0397
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0107	0.0159	0.5014
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0032	0.1022
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0013	0.0397
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0201	0.0313	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0201	0.0313	0.985
Plasmodium vivax	vivapain-2	0.0053	0.007	0.5402
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0053	0.007	0.2215
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0053	0.007	0.5402
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0024	0.0023	0.0318
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0058	0.184
Loa Loa (eye worm)	cytochrome P450	0.0011	0.0002	0.0066
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.007	0.5402
Onchocerca volvulus		0.002	0.0016	0.0508
Schistosoma mansoni	lipoxygenase	0.002	0.0016	0.0508
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0089	0.013	0.4101
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0	0.0006
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.007	0.5402
Toxoplasma gondii	protease inhibitor PI2	0.0107	0.0159	0.5014
Trypanosoma cruzi	cytochrome P450, putative	0.003	0.0032	0.1022
Entamoeba histolytica	cysteine proteinase 2	0.0027	0.0029	0.219
Echinococcus granulosus	Polycystic kidney disease protein	0.002	0.0016	0.0508
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0023	0.1757
Echinococcus multilocularis	pol protein	0.045	0.072	1
Schistosoma mansoni	rab6-interacting	0.002	0.0016	0.0508
Loa Loa (eye worm)	doublecortin family protein	0.002	0.0016	0.0508
Onchocerca volvulus	Cathepsin F homolog	0.0053	0.007	0.2215
Echinococcus multilocularis	pol protein	0.045	0.072	1
Brugia malayi	cysteinyl tRNA synthetase protein 1	0.0089	0.013	0.4101
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.003	0.0032	0.003
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0201	0.0313	1
Onchocerca volvulus		0.0053	0.007	0.2215
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0024	0.0023	0.1757
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0027	0.0029	0.0898
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0201	0.0313	1
Wolbachia endosymbiont of Brugia malayi	cysteinyl-tRNA synthetase	0.0089	0.013	0.5
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.219
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.219
Loa Loa (eye worm)	hypothetical protein	0.0204	0.0317	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0023	0.0721
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0024	0.0023	0.0021
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.007	0.5402
Leishmania major	cathepsin L-like protease	0.0053	0.007	0.2249
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0042	0.3212
Echinococcus multilocularis	cysteine protease	0.0053	0.007	0.0977
Plasmodium vivax	multidomain scavenger receptor, putative	0.002	0.0016	0.1239
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.005	0.1574
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.005	0.1574
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.001	0.032
Loa Loa (eye worm)	hypothetical protein	0.0204	0.0317	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0053	0.007	0.5402
Echinococcus multilocularis	multidrug resistance protein 1	0.0017	0.0011	0.0155
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0058	0.0811
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0035	0.0042	0.1317
Echinococcus multilocularis	RUN	0.002	0.0016	0.0224
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Schistosoma mansoni	hypothetical protein	0.0011	0.0002	0.0066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Leishmania major	cathepsin L-like protease	0.0053	0.007	0.2249
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0024	0.0023	0.0318
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.0074	0.1025
Plasmodium falciparum	cysteine--tRNA ligase	0.0089	0.013	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0033	0.1043
Schistosoma mansoni	cathepsin F (C01 family)	0.0053	0.007	0.2215
Loa Loa (eye worm)	hypothetical protein	0.001	0	0.0006
Plasmodium falciparum	LCCL domain-containing protein	0.002	0.0016	0.1239
Entamoeba histolytica	P-glycoprotein-2	0.0024	0.0023	0.1757
Plasmodium falciparum	multidrug resistance protein 1	0.0024	0.0023	0.1757
Onchocerca volvulus	Cathepsin L homolog	0.0053	0.007	0.2215
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0042	0.1317
Trypanosoma cruzi	cruzipain precursor, putative	0.0017	0.0013	0.0397
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0089	0.013	0.4101
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0024	0.0023	0.1757
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.007	0.5402
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0027	0.0029	0.0898
Echinococcus granulosus	cathepsin l1	0.0035	0.0042	0.1317
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0023	0.1757
Plasmodium vivax	unspecified product	0.0027	0.0029	0.219
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0204	0.0317	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0023	0.1757
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0053	0.007	0.2215
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0013	0.0397
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0023	0.1757
Entamoeba histolytica	cysteine proteinase, putative	0.0035	0.0042	0.3212
Echinococcus granulosus	RUN	0.002	0.0016	0.0508
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0107	0.0159	0.5014
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.0074	0.2325
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0	0.0006
Brugia malayi	multidrug resistance protein 3	0.0024	0.0023	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0042	0.1317
Brugia malayi	Cathepsin L-like precursor	0.0035	0.0042	0.1317
Loa Loa (eye worm)	hypothetical protein	0.0204	0.0317	1
Echinococcus multilocularis	bloom syndrome protein	0.0024	0.0023	0.0321
Onchocerca volvulus		0.0204	0.0317	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.0024	0.0023	0.1757
Trypanosoma cruzi	cysteine protease, putative	0.0027	0.0029	0.0898
Onchocerca volvulus		0.0204	0.0317	1
Echinococcus granulosus	follistatin	0.0107	0.0159	0.5014
Brugia malayi	Cytochrome P450 family protein	0.0011	0.0002	0.0066
Giardia lamblia	Cysteinyl-tRNA synthetase	0.0089	0.013	1
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0005	0.0158
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0023	0.1757
Schistosoma mansoni	follistatin	0.0107	0.0159	0.5014
Schistosoma mansoni	polycystin 1-related	0.002	0.0016	0.0508
Trypanosoma cruzi	cysteine peptidase, putative	0.0027	0.0029	0.0898
Echinococcus multilocularis	Polycystic kidney disease protein	0.002	0.0016	0.0224
Entamoeba histolytica	cysteine proteinase, putative	0.0053	0.007	0.5402
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0032	0.1022
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0053	0.007	0.5402
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0058	0.184
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0107	0.0159	0.5014
Onchocerca volvulus		0.0053	0.007	0.2215
Trypanosoma cruzi	cysteine peptidase, putative	0.0201	0.0313	0.985
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0029	0.0912
Entamoeba histolytica	P-glycoprotein-1	0.0024	0.0023	0.1757
Trypanosoma cruzi	cytochrome P450, putative	0.003	0.0032	0.1022
Trypanosoma cruzi	cysteine proteinase, putative	0.0027	0.0029	0.0898
Brugia malayi	hypothetical protein	0.002	0.0016	0.0508
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0011	0.0002	0.0066
Trichomonas vaginalis	DNA helicase recq, putative	0.0024	0.0023	0.1774
Brugia malayi	cathepsin F-like cysteine proteinase	0.0017	0.0013	0.0397
Echinococcus multilocularis	cathepsin L	0.0027	0.0029	0.0396
Schistosoma mansoni	hypothetical protein	0.004	0.005	0.1574
Brugia malayi	hypothetical protein	0.002	0.0016	0.0508
Loa Loa (eye worm)	kazal-type serine protease inhibitor domain-containing protein	0.0107	0.0159	0.5014
Onchocerca volvulus	Putative organic anion transporter	0.0204	0.0317	1
Echinococcus granulosus	bloom syndrome protein	0.0024	0.0023	0.0728
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.007	0.5402
Toxoplasma gondii	cathepsin CPL	0.0053	0.007	0.2215
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0024	0.0023	0.1757
Onchocerca volvulus	Putative organic anion transporter	0.0204	0.0317	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0201	0.0313	0.985
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0107	0.0159	0.5014
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0013	0.0397
Trichomonas vaginalis	DNA helicase recq, putative	0.0013	0.0005	0.0378
Echinococcus multilocularis	cysteine protease	0.0053	0.007	0.0977
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0053	0.007	0.5402
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0024	0.0023	0.0721
Brugia malayi	Cytochrome P450 family protein	0.003	0.0033	0.1043
Echinococcus multilocularis	pol protein	0.045	0.072	1
Trichomonas vaginalis	abcb9, putative	0.0024	0.0023	0.1757
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0014	0.0455
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0184	0.0284	0.8951
Trypanosoma cruzi	MFS transporter, putative	0.0204	0.0317	1
Onchocerca volvulus		0.0204	0.0317	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0053	0.007	0.0977
Echinococcus granulosus	multidrug resistance protein 1	0.0024	0.0023	0.0721
Echinococcus multilocularis	cysteinyl tRNA synthetase	0.0089	0.013	0.1808
Echinococcus multilocularis	follistatin	0.0107	0.0159	0.221
Brugia malayi	Papain family cysteine protease containing protein	0.0027	0.0029	0.0898
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0024	0.0023	0.1757
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0107	0.0159	0.5014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0201	0.0313	1
Trichomonas vaginalis	abcb9, putative	0.0024	0.0023	0.1757
Echinococcus multilocularis	lipoxygenase domain containing protein	0.002	0.0016	0.0224
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0005	0.0378
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Echinococcus granulosus	multidrug resistance protein 1	0.0024	0.0023	0.0721
Loa Loa (eye worm)	CYP4Cod1	0.003	0.0032	0.1022
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0159	0.5014
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0053	0.007	0.0977
Onchocerca volvulus	Putative organic anion transporter	0.0204	0.0317	1
Plasmodium falciparum	cysteine--tRNA ligase	0.0089	0.013	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0024	0.0023	0.0721
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0029	0.0912
Schistosoma mansoni	multidrug resistance protein	0.0024	0.0023	0.0721
Onchocerca volvulus		0.0204	0.0317	1
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0204	0.0317	0.4408
Brugia malayi	sodium-independent organic anion transporter family protein	0.0204	0.0317	1
Plasmodium vivax	unspecified product	0.0017	0.0013	0.0967
Leishmania major	cysteinyl-tRNA synthetase, putative	0.0089	0.013	0.4164
Schistosoma mansoni	cathepsin F (C01 family)	0.0035	0.0042	0.1317
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0053	0.007	0.5402
Entamoeba histolytica	hypothetical protein	0.004	0.005	0.3837
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0201	0.0313	1
Entamoeba histolytica	cysteine protease, putative	0.0053	0.007	0.5402
Schistosoma mansoni	rab6-interacting	0.002	0.0016	0.0508
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0107	0.0159	0.5014
Brugia malayi	Papain family cysteine protease containing protein	0.0053	0.007	0.2215
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0201	0.0313	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0023	0.1757
Brugia malayi	cathepsin L-like precursor	0.0035	0.0042	0.1317
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0107	0.0159	0.5014
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0204	0.0317	0.4408
Entamoeba histolytica	hypothetical protein	0.004	0.005	0.3837
Entamoeba histolytica	cysteine proteinase 1, putative	0.0027	0.0029	0.219
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0027	0.0029	0.219
Brugia malayi	hypothetical protein	0.004	0.005	0.1574
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Brugia malayi	sodium-independent organic anion transporter family protein	0.0204	0.0317	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0201	0.0313	1
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0024	0.0023	0.0732
Entamoeba histolytica	hypothetical protein	0.004	0.005	0.3837
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0013	0.0397
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0017	0.0011	0.0857
Loa Loa (eye worm)	cysteinyl tRNA synthetase 1	0.0089	0.013	0.4101
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.219
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0027	0.0029	0.0898
Echinococcus granulosus	cathepsin L cysteine protease	0.0027	0.0029	0.0898
Trichomonas vaginalis	taga, putative	0.0024	0.0023	0.1757
Onchocerca volvulus		0.0204	0.0317	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0	0.0006
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0053	0.007	0.0977
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0023	0.1757
Onchocerca volvulus		0.002	0.0016	0.0508
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.6129	1	1
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0	0.0006
Treponema pallidum	cysteinyl-tRNA synthetase	0.0089	0.013	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.0013	0.0397
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0023	0.1757
Onchocerca volvulus		0.0089	0.013	0.4101
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0159	0.5014
Loa Loa (eye worm)	agrin synaptic family protein	0.0107	0.0159	0.5014
Brugia malayi	Doublecortin family protein	0.002	0.0016	0.0508
Trichomonas vaginalis	ABC transporter, putative	0.0024	0.0023	0.1757
Plasmodium vivax	vivapain-1	0.0027	0.0029	0.219
Schistosoma mansoni	lipoxygenase	0.0055	0.0074	0.2325
Onchocerca volvulus	Cathepsin L homolog	0.0053	0.007	0.2215
Brugia malayi	Cathepsin L-like precursor	0.0053	0.007	0.2215
Brugia malayi	Bloom's syndrome protein homolog	0.0024	0.0023	0.0728
Echinococcus granulosus	leucyl tRNA synthetase	0.0089	0.013	0.4101
Echinococcus multilocularis		0.0011	0.0002	0.0029
Trypanosoma cruzi	cysteine peptidase, putative	0.0053	0.007	0.2215
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0023	0.1757
Loa Loa (eye worm)	hypothetical protein	0.0204	0.0317	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0058	0.184
Entamoeba histolytica	cysteine proteinase, putative	0.0053	0.007	0.5402
Onchocerca volvulus		0.0053	0.007	0.2215
Trypanosoma brucei	cysteinyl-tRNA synthetase, putative	0.0089	0.013	0.4164
Echinococcus granulosus	cathepsin L	0.0027	0.0029	0.0898
Brugia malayi	Papain family cysteine protease containing protein	0.0027	0.0029	0.0898
Loa Loa (eye worm)	hypothetical protein	0.0204	0.0317	1
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0	0.0015
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0107	0.0159	0.5014
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0016	0.0508
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0023	0.1757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0053	0.007	0.5402
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0	0.0003
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0024	0.0023	0.0318
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0023	0.0022	0.0707
Brugia malayi	cytochrome P450	0.0011	0.0002	0.0066
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0018	0.141
Echinococcus granulosus	cysteine protease	0.0027	0.0029	0.0898
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0024	0.0023	0.1757
Entamoeba histolytica	P-glycoprotein-2	0.0024	0.0023	0.1757
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0023	0.1757
Trypanosoma cruzi	cruzipain precursor, putative	0.0201	0.0313	0.985
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0024	0.0023	0.0318
Loa Loa (eye worm)	RecQ helicase	0.0024	0.0023	0.0728
Echinococcus granulosus	lipoxygenase domain containing protein	0.002	0.0016	0.0508
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0029	0.219
Brugia malayi	Cytochrome P450 family protein	0.003	0.0032	0.1022
Echinococcus multilocularis	pol protein	0.045	0.072	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0042	0.3212
Onchocerca volvulus		0.0053	0.007	0.2215
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0024	0.0023	0.1757
Schistosoma mansoni	organic anion transporter	0.0204	0.0317	1
Brugia malayi	Cathepsin L-like precursor	0.0053	0.007	0.2215
Plasmodium vivax	cysteine--tRNA ligase, putative	0.0089	0.013	1
Toxoplasma gondii	transporter, major facilitator family protein	0.0204	0.0317	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0029	0.219
Trypanosoma cruzi	major cysteine proteinase, putative	0.0158	0.0242	0.7634
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0024	0.0023	0.1757
Echinococcus multilocularis	expressed protein	0.0107	0.0159	0.221
Loa Loa (eye worm)	hypothetical protein	0.0204	0.0317	1
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0204	0.0317	1

Activities

Activity type	Activity value	Assay description	Source	Reference
AUC (ADMET)	= 1500 ng hr ml-1	Tested for the pharmacokinetic parameter in rat and expressed as area under curve	ChEMBL.	11992787
Binding (binding)	= 98 %	Compound was tested for Serum albumin binding	ChEMBL.	11992787
Binding (binding)	= 98 %	Compound was tested for Serum albumin binding	ChEMBL.	11992787
Cl (ADMET)	= 12 ml min-1 kg-1	Compound was tested for plasma clearance in rat	ChEMBL.	11992787
F (ADMET)	= 22 %	Bioavailability in rat	ChEMBL.	11992787
HSA shift (binding)	= 87	Tested for ratio of displacement of 3H oxytocin from human OT in presence and absence of 50 mg/mL human serum albumin	ChEMBL.	11992787
HSA shift (binding)	= 87	Tested for ratio of displacement of 3H oxytocin from human OT in presence and absence of 50 mg/mL human serum albumin	ChEMBL.	11992787
Ki (binding)	= -8	Displacement of 3[H]oxytocin from human oxytocin receptor	ChEMBL.	11992787
Log Ki (binding)	= 8	Displacement of 3[H]oxytocin from human oxytocin receptor	ChEMBL.	11992787
T1/2 (ADMET)	= 1.2 hr	Compound was tested for its half life in rat	ChEMBL.	11992787

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: CHEMBL445875

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 43426