TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 448.385 | Formula: C23H27Cl2N3O2
H donors: 0 H acceptors: 1 LogP: 5 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2CCN(c2cc1N1C[C@H](C)N([C@@H](C1)C)C)C(=O)c1cccc(c1Cl)Cl
InChi: 1S/C23H27Cl2N3O2/c1-14-12-27(13-15(2)26(14)3)20-11-19-16(10-21(20)30-4)8-9-28(19)23(29)17-6-5-7-18(24)22(17)25/h5-7,10-11,14-15H,8-9,12-13H2,1-4H3/t14-,15+
InChiKey: KDIHCTYKLWEQQU-GASCZTMLSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1D, G protein-coupled	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	5-hydroxytryptamine receptor, putative	Get druggable targets OG5_133680	All targets in OG5_133680
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133680	All targets in OG5_133680
Schistosoma japonicum	ko:K04165 Oamb gene product from transcript, putative	Get druggable targets OG5_141128	All targets in OG5_141128
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_141128	All targets in OG5_141128
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	Get druggable targets OG5_141128	All targets in OG5_141128
Brugia malayi	Serotonin/octopamine receptor family protein 7	Get druggable targets OG5_141128	All targets in OG5_141128
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_141128	All targets in OG5_141128

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	AT19640p	5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled	390 aa	335 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0023	0.1756
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.001	0	0.0003
Loa Loa (eye worm)	cysteinyl tRNA synthetase 1	0.0088	0.013	0.2224
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0088	0.013	0.2224
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Onchocerca volvulus		0.0052	0.007	0.2217
Trichomonas vaginalis	cysteinyl-tRNA synthetase, putative	0.0088	0.013	1
Trichomonas vaginalis	DNA helicase recq, putative	0.0013	0.0005	0.038
Onchocerca volvulus		0.0052	0.007	0.2217
Entamoeba histolytica	hypothetical protein	0.004	0.005	0.3837
Loa Loa (eye worm)	kazal-type serine protease inhibitor domain-containing protein	0.0106	0.0159	0.2719
Onchocerca volvulus		0.0023	0.0023	0.072
Plasmodium vivax	vivapain-3	0.0027	0.0029	0.2192
Onchocerca volvulus		0.0201	0.0317	1
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0029	0.2192
Trichomonas vaginalis	abcb9, putative	0.0023	0.0023	0.1756
Onchocerca volvulus		0.0201	0.0317	1
Echinococcus granulosus	multidrug resistance protein 1	0.0023	0.0023	0.072
Brugia malayi	Papain family cysteine protease containing protein	0.0027	0.0029	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0042	0.0715
Trypanosoma cruzi	cysteine peptidase, putative	0.0198	0.0313	0.9859
Schistosoma mansoni	follistatin	0.0106	0.0159	0.2719
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0011	0.0002	0.0066
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0023	0.1756
Entamoeba histolytica	P-glycoprotein-2	0.0023	0.0023	0.1756
Echinococcus granulosus	multidrug resistance protein 1	0.0016	0.0011	0.0351
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0313	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0023	0.0317
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0313	1
Onchocerca volvulus		0.0052	0.007	0.2217
Trichomonas vaginalis	DNA helicase recq1, putative	0.0024	0.0023	0.1778
Entamoeba histolytica	cysteine proteinase 1, putative	0.0027	0.0029	0.2192
Leishmania major	cathepsin L-like protease	0.0198	0.0313	1
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0032	0.0555
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0023	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0201	0.0317	0.5423
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Toxoplasma gondii	protease inhibitor PI2	0.0106	0.0159	0.5014
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0023	0.0023	0.1756
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0011	0.0002	0.0066
Leishmania major	cysteine peptidase A (CPA)	0.0052	0.007	0.2249
Brugia malayi	Cathepsin L-like precursor	0.0052	0.007	0.1202
Plasmodium falciparum	cysteine--tRNA ligase	0.0088	0.013	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.007	0.5407
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0059	0.1844
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0313	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0027	0.0029	0.0487
Echinococcus multilocularis	ATP binding cassette sub family B	0.0023	0.0022	0.0311
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.2192
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0	0.0006
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.007	0.5407
Schistosoma mansoni	cathepsin s	0.0017	0.0013	0.0215
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0	0.0006
Onchocerca volvulus	Cathepsin F homolog	0.0052	0.007	0.2217
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0029	0.0912
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0022	0.0383
Echinococcus granulosus	cathepsin L cysteine protease	0.0027	0.0029	0.0899
Toxoplasma gondii	cysteine-tRNA synthetase (CysRS)	0.0088	0.013	0.4101
Plasmodium falciparum	cysteine--tRNA ligase	0.0088	0.013	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0052	0.007	0.0977
Echinococcus granulosus	RUN	0.0019	0.0016	0.0509
Echinococcus multilocularis	cathepsin L cysteine protease	0.0052	0.007	0.0977
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0042	0.0715
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Trypanosoma cruzi	cysteine peptidase, putative	0.0027	0.0029	0.0899
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.2192
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0052	0.007	0.5407
Echinococcus granulosus	multidrug resistance protein 1	0.0023	0.0023	0.072
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0014	0.0247
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.2192
Entamoeba histolytica	recQ family helicase, putative	0.0013	0.0005	0.038
Brugia malayi	Cathepsin L-like precursor	0.0052	0.007	0.1202
Onchocerca volvulus		0.0052	0.007	0.2217
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0106	0.0159	0.5014
Echinococcus granulosus	organic anion transporting polypeptide 30B	0.0201	0.0317	1
Toxoplasma gondii	cathepsin CPL	0.0052	0.007	0.2217
Brugia malayi	Papain family cysteine protease containing protein	0.0027	0.0029	0.0487
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.2192
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0016	0.0509
Brugia malayi	cathepsin L-like precursor	0.0035	0.0042	0.0715
Echinococcus multilocularis		0.0011	0.0002	0.0029
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0016	0.0509
Plasmodium vivax	multidrug resistance protein 1, putative	0.0023	0.0023	0.1756
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0017	0.0013	0.0215
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0023	0.1756
Echinococcus granulosus	cathepsin l1	0.0052	0.007	0.2217
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0313	1
Echinococcus multilocularis	cysteine protease	0.0052	0.007	0.0977
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0023	0.1756
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0052	0.007	0.1202
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0011	0.0002	0.0066
Brugia malayi	Cytochrome P450 family protein	0.0011	0.0002	0.0036
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0059	0.1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0023	0.1756
Schistosoma mansoni	cathepsin F (C01 family)	0.0052	0.007	0.1202
Brugia malayi	SPARC precursor	0.0106	0.0159	0.2719
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Schistosoma mansoni	organic anion transporter	0.0201	0.0317	0.5423
Schistosoma mansoni	hypothetical protein	0.0019	0.0016	0.0276
Brugia malayi	sodium-independent organic anion transporter family protein	0.0201	0.0317	0.5423
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0023	0.0317
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0052	0.007	0.2217
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0005	0.0156
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0027	0.0029	0.0487
Brugia malayi	cytochrome P450	0.0011	0.0002	0.0036
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0016	0.1242
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0042	0.3215
Trypanosoma cruzi	major cysteine proteinase, putative	0.0156	0.0242	0.7641
Leishmania major	cathepsin L-like protease	0.0198	0.0313	1
Onchocerca volvulus		0.0019	0.0016	0.0509
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Brugia malayi	Cathepsin L-like precursor	0.0017	0.0013	0.0215
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.2192
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0023	0.0023	0.0391
Trypanosoma cruzi	cysteine peptidase, putative	0.0017	0.0013	0.0397
Schistosoma mansoni	cytochrome P450	0.0011	0.0002	0.0036
Onchocerca volvulus		0.0106	0.0159	0.5014
Plasmodium vivax	unspecified product	0.0027	0.0029	0.2192
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0023	0.1756
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.0088	0.013	0.0128
Entamoeba histolytica	cysteine protease, putative	0.0052	0.007	0.5407
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0023	0.0391
Leishmania major	cytochrome p450-like protein	0.0011	0.0002	0.0067
Echinococcus granulosus	cathepsin l1	0.0035	0.0042	0.1318
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0313	1
Onchocerca volvulus		0.0201	0.0317	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0027	0.0029	0.0487
Brugia malayi	multidrug resistance protein 3	0.0023	0.0023	0.0391
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.001	0	0.0006
Plasmodium vivax	vivapain-2	0.0052	0.007	0.5407
Schistosoma mansoni	agrin	0.0106	0.0159	0.2719
Loa Loa (eye worm)	cytochrome P450	0.0011	0.0002	0.0036
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.2192
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0106	0.0159	0.5014
Echinococcus multilocularis	multidrug resistance protein 1	0.0023	0.0023	0.0317
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.6047	1	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0016	0.001	0.0321
Schistosoma mansoni	DNA helicase recq5	0.001	0	0.0003
Trichomonas vaginalis	ABC transporter, putative	0.0023	0.0023	0.1756
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0027	0.0029	0.0912
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0029	0.2192
Plasmodium falciparum	multidrug resistance protein 1	0.0023	0.0023	0.1756
Brugia malayi	Cathepsin L-like precursor	0.0035	0.0042	0.0715
Brugia malayi	Cathepsin L-like precursor	0.0052	0.007	0.1202
Onchocerca volvulus		0.0052	0.007	0.2217
Leishmania major	cathepsin L-like protease	0.0052	0.007	0.2249
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0052	0.007	0.5407
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0023	0.0317
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0052	0.007	0.5407
Brugia malayi	Cathepsin L-like precursor	0.0052	0.007	0.1202
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0023	0.1756
Echinococcus multilocularis	bloom syndrome protein	0.0024	0.0023	0.0321
Echinococcus granulosus	bloom syndrome protein	0.0024	0.0023	0.0729
Loa Loa (eye worm)	hypothetical protein	0.0318	0.0511	0.8736
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0054	0.0074	0.1026
Plasmodium vivax	vivapain-2	0.0052	0.007	0.5407
Brugia malayi	hypothetical protein	0.0019	0.0016	0.0276
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0059	0.1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0035	0.0042	0.0715
Loa Loa (eye worm)	cysteine protease	0.0052	0.007	0.1202
Brugia malayi	Cathepsin L-like precursor	0.0052	0.007	0.1202
Entamoeba histolytica	cysteine proteinase, putative	0.0052	0.007	0.5407
Schistosoma mansoni	multidrug resistance protein	0.0023	0.0023	0.0391
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0023	0.0023	0.072
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0029	0.2192
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.2192
Loa Loa (eye worm)	hypothetical protein	0.0201	0.0317	0.5423
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0313	1
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0029	0.2192
Trypanosoma brucei	cysteinyl-tRNA synthetase, putative	0.0088	0.013	0.416
Trichomonas vaginalis	ABC transporter, putative	0.0023	0.0023	0.1756
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Loa Loa (eye worm)	ctsf protein	0.0052	0.007	0.1202
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0016	0.0276
Echinococcus multilocularis	pol protein	0.0444	0.072	1
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0088	0.013	0.4101
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0313	1
Leishmania major	cytochrome p450-like protein	0.0029	0.0032	0.1038
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.2192
Schistosoma mansoni	polycystin 1-related	0.0019	0.0016	0.0276
Entamoeba histolytica	P-glycoprotein-1	0.0023	0.0023	0.1756
Echinococcus multilocularis	pol protein	0.0444	0.072	1
Brugia malayi	Doublecortin family protein	0.0019	0.0016	0.0276
Loa Loa (eye worm)	CYP4Cod1	0.0029	0.0032	0.0555
Echinococcus granulosus	cytochrome P450 2K1	0.0011	0.0002	0.0066
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0106	0.0159	0.2719
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.007	0.5407
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0016	0.0276
Brugia malayi	hypothetical protein	0.0019	0.0016	0.0276
Wolbachia endosymbiont of Brugia malayi	cysteinyl-tRNA synthetase	0.0088	0.013	0.5
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0023	0.0023	0.0021
Leishmania major	cathepsin L-like protease	0.0052	0.007	0.2249
Entamoeba histolytica	cysteine proteinase, putative	0.0052	0.007	0.5407
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0059	0.1
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0005	0.0158
Trypanosoma cruzi	cruzipain precursor, putative	0.0198	0.0313	0.9859
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.001	0	0.0003
Loa Loa (eye worm)	sodium-independent organic anion transporter	0.0201	0.0317	0.5423
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.007	0.5407
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0052	0.007	0.1202
Echinococcus granulosus	follistatin	0.0106	0.0159	0.5014
Loa Loa (eye worm)	cytochrome P450 family protein	0.003	0.0033	0.0566
Trypanosoma cruzi	cruzipain precursor, putative	0.0017	0.0013	0.0397
Brugia malayi	sodium-independent organic anion transporter family protein	0.0201	0.0317	0.5423
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0013	0.0005	0.0158
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0106	0.0159	0.2719
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0016	0.0011	0.0856
Entamoeba histolytica	cysteinyl-tRNA synthetase, putative	0.0088	0.013	1
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0023	0.0023	0.073
Loa Loa (eye worm)	hypothetical protein	0.0201	0.0317	0.5423
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0023	0.1756
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.2192
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0023	0.0023	0.0317
Entamoeba histolytica	hypothetical protein	0.004	0.005	0.3837
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0	0.0003
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.005	0.1574
Onchocerca volvulus	Putative organic anion transporter	0.0201	0.0317	1
Brugia malayi	cysteinyl tRNA synthetase protein 1	0.0088	0.013	0.2224
Giardia lamblia	Sgs1 DNA helicase, putative	0.001	0	0.0015
Schistosoma mansoni	blooms syndrome DNA helicase	0.0019	0.0015	0.0255
Loa Loa (eye worm)	hypothetical protein	0.001	0	0.0003
Echinococcus multilocularis	agrin	0.0106	0.0159	0.2209
Plasmodium vivax	unspecified product	0.0017	0.0013	0.0968
Entamoeba histolytica	P-glycoprotein-5	0.0023	0.0023	0.1756
Brugia malayi	Cathepsin L-like precursor	0.0035	0.0042	0.0715
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.2192
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0023	0.1756
Brugia malayi	hypothetical protein	0.0201	0.0317	0.5423
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0052	0.007	0.5407
Echinococcus multilocularis	cathepsin L	0.0027	0.0029	0.0396
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Entamoeba histolytica	cysteine proteinase, putative	0.0035	0.0042	0.3215
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0023	0.1756
Leishmania major	p-glycoprotein	0.0023	0.0023	0.073
Echinococcus multilocularis	cathepsin L cysteine protease	0.0052	0.007	0.0977
Brugia malayi	cathepsin F-like cysteine proteinase	0.0017	0.0013	0.0215
Onchocerca volvulus		0.0035	0.0042	0.1318
Loa Loa (eye worm)	hypothetical protein	0.0088	0.013	0.2224
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0023	0.0023	0.1756
Schistosoma mansoni	DNA helicase recq1	0.001	0	0.0003
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0016	0.0509
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0023	0.0023	0.072
Brugia malayi	Cytochrome P450 family protein	0.003	0.0033	0.0566
Onchocerca volvulus		0.0088	0.013	0.4101
Chlamydia trachomatis	cysteine--tRNA ligase	0.0088	0.013	1
Leishmania major	cathepsin L-like protease	0.0052	0.007	0.2249
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.007	0.5407
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0011	0.0002	0.0067
Leishmania major	cysteinyl-tRNA synthetase, putative	0.0088	0.013	0.416
Trichomonas vaginalis	abcb9, putative	0.0023	0.0023	0.1756
Giardia lamblia	Cysteinyl-tRNA synthetase	0.0088	0.013	1
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0017	0.0013	0.0215
Trypanosoma cruzi	cysteine peptidase, putative	0.0052	0.007	0.2217
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0035	0.0042	0.3215
Brugia malayi	Cathepsin L-like precursor	0.0052	0.007	0.1202
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0016	0.0224
Entamoeba histolytica	hypothetical protein	0.004	0.005	0.3837
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0016	0.001	0.0806
Onchocerca volvulus	Putative organic anion transporter	0.0201	0.0317	1
Schistosoma mansoni	lipoxygenase	0.0054	0.0074	0.1263
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.2192
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0363	0.0585	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0023	0.0391
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Echinococcus granulosus	leucyl tRNA synthetase	0.0088	0.013	0.4101
Loa Loa (eye worm)	agrin synaptic family protein	0.0106	0.0159	0.2719
Trypanosoma cruzi	cysteine peptidase, putative	0.0198	0.0313	0.9859
Schistosoma mansoni	organic anion transporter	0.0201	0.0317	0.5423
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0042	0.0715
Echinococcus multilocularis	pol protein	0.0444	0.072	1
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0016	0.0224
Loa Loa (eye worm)	RecQ helicase	0.0024	0.0023	0.0395
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0023	0.1756
Schistosoma mansoni	cathepsin F (C01 family)	0.0052	0.007	0.1202
Onchocerca volvulus	Cathepsin L homolog	0.0052	0.007	0.2217
Onchocerca volvulus		0.0201	0.0317	1
Echinococcus multilocularis	follistatin	0.0106	0.0159	0.2209
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0013	0.0215
Echinococcus granulosus	multidrug resistance protein 1	0.0016	0.0011	0.0351
Leishmania major	cathepsin L-like protease	0.0052	0.007	0.2249
Onchocerca volvulus		0.0052	0.007	0.2217
Echinococcus multilocularis	Solute carrier organic anion transporter family	0.0201	0.0317	0.4407
Brugia malayi	Bloom's syndrome protein homolog	0.0024	0.0023	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0159	0.2719
Brugia malayi	hypothetical protein	0.0201	0.0317	0.5423
Loa Loa (eye worm)	multidrug resistance protein 3	0.0023	0.0023	0.0391
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0021	0.0018	0.1413
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.005	0.0693
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0011	0.0002	0.0067
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0023	0.0023	0.072
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0027	0.0029	0.0899
Echinococcus multilocularis	RUN	0.0019	0.0016	0.0224
Brugia malayi	Cytochrome P450 family protein	0.0029	0.0032	0.0555
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0032	0.0555
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0023	0.0022	0.0707
Onchocerca volvulus	Putative organic anion transporter	0.0201	0.0317	1
Trypanosoma cruzi	cytochrome P450, putative	0.0029	0.0032	0.1023
Entamoeba histolytica	P-glycoprotein 5, putative	0.0023	0.0023	0.1756
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0052	0.007	0.0977
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0059	0.1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0313	1
Brugia malayi	Papain family cysteine protease containing protein	0.0052	0.007	0.1202
Trichomonas vaginalis	abcb9, putative	0.0023	0.0023	0.1756
Onchocerca volvulus		0.0019	0.0016	0.0509
Trypanosoma cruzi	cytochrome P450, putative	0.0029	0.0032	0.1023
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0106	0.0159	0.2719
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0023	0.1756
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0052	0.007	0.2217
Loa Loa (eye worm)	cytochrome P450 family protein	0.0029	0.0032	0.0555
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.001	0	0.0015
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.007	0.5407
Trichomonas vaginalis	ABC transporter, putative	0.0023	0.0023	0.1756
Trypanosoma cruzi	cysteine proteinase, putative	0.0027	0.0029	0.0899
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.2192
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0023	0.1756
Toxoplasma gondii	transporter, major facilitator family protein	0.0201	0.0317	1
Echinococcus multilocularis	expressed protein	0.0106	0.0159	0.2209
Schistosoma mansoni	rab6-interacting	0.0019	0.0016	0.0276
Schistosoma mansoni	loxhd1	0.0019	0.0016	0.0276
Echinococcus granulosus	cysteine protease	0.0027	0.0029	0.0899
Trypanosoma cruzi	cysteine peptidase, putative	0.0198	0.0313	0.9859
Loa Loa (eye worm)	hypothetical protein	0.0201	0.0317	0.5423
Schistosoma mansoni	multidrug resistance protein	0.0023	0.0023	0.0391
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0059	0.0812
Brugia malayi	hypothetical protein	0.004	0.005	0.0853
Entamoeba histolytica	cysteine proteinase, putative	0.0027	0.0029	0.2192
Trypanosoma brucei	cytochrome P450, putative	0.0029	0.0032	0.1038
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0059	0.1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.007	0.5407
Loa Loa (eye worm)	hypothetical protein	0.0363	0.0585	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Entamoeba histolytica	P-glycoprotein-2, putative	0.0023	0.0023	0.1756
Entamoeba histolytica	hypothetical protein	0.004	0.005	0.3837
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0313	1
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0181	0.3088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0059	0.1844
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0313	1
Leishmania major	cathepsin L-like protease	0.0052	0.007	0.2249
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0016	0.0224
Brugia malayi	Kazal-type serine protease inhibitor domain containing protein	0.0106	0.0159	0.2719
Treponema pallidum	cysteinyl-tRNA synthetase	0.0088	0.013	0.5
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.005	0.0853
Echinococcus multilocularis	cysteine protease	0.0052	0.007	0.0977
Echinococcus multilocularis	organic anion transporting polypeptide 30B	0.0201	0.0317	0.4407
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0013	0.0215
Entamoeba histolytica	cysteine proteinase 2	0.0027	0.0029	0.2192
Brugia malayi	ABC transporter family protein	0.0023	0.0023	0.0391
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0363	0.0585	1
Brugia malayi	sodium-independent organic anion transporter family protein	0.0201	0.0317	0.5423
Loa Loa (eye worm)	hypothetical protein	0.0201	0.0317	0.5423
Schistosoma mansoni	cysteinyl-tRNA synthetase	0.0088	0.013	0.2224
Plasmodium falciparum	cysteine proteinase falcipain 1	0.0027	0.0029	0.2192
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Schistosoma mansoni	multidrug resistance protein	0.0023	0.0023	0.0391
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0106	0.0159	0.5014
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0029	0.0032	0.003
Loa Loa (eye worm)	hypothetical protein	0.0052	0.007	0.1202
Entamoeba histolytica	P-glycoprotein-2	0.0023	0.0023	0.1756
Schistosoma mansoni	rab6-interacting	0.0019	0.0016	0.0276
Echinococcus multilocularis	multidrug resistance protein 1	0.0016	0.0011	0.0155
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0023	0.0023	0.072
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0181	0.0284	0.896
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0198	0.0313	1
Loa Loa (eye worm)	hypothetical protein	0.0201	0.0317	0.5423
Entamoeba histolytica	cysteine protease, putative	0.0027	0.0029	0.2192
Leishmania major	cathepsin L-like protease	0.0198	0.0313	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0023	0.1756
Brugia malayi	prostaglandin transporter	0.0201	0.0317	0.5423
Onchocerca volvulus		0.0201	0.0317	1
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0159	0.2719
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.001	0	0.0003
Loa Loa (eye worm)	fibroinase	0.0052	0.007	0.1202
Echinococcus granulosus	agrin	0.0106	0.0159	0.5014
Echinococcus multilocularis	pol protein	0.0444	0.072	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0052	0.007	0.5407
Schistosoma mansoni	hypothetical protein	0.004	0.005	0.0853
Loa Loa (eye worm)	hypothetical protein	0.0201	0.0317	0.5423
Trichomonas vaginalis	taga, putative	0.0023	0.0023	0.1756
Trichomonas vaginalis	DNA helicase recq, putative	0.0024	0.0023	0.1778
Schistosoma mansoni	lipoxygenase	0.0019	0.0016	0.0276
Plasmodium vivax	vivapain-1	0.0027	0.0029	0.2192
Schistosoma mansoni	cathepsin F (C01 family)	0.0035	0.0042	0.0715
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0023	0.1756
Echinococcus granulosus	Solute carrier organic anion transporter family	0.0201	0.0317	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0023	0.0023	0.0317
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0023	0.1756
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0023	0.0023	0.1756
Leishmania major	cytochrome p450-like protein	0.0011	0.0002	0.0067
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0023	0.0023	0.072
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0023	0.1756
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0027	0.0029	0.2192
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0023	0.0023	0.072
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0016	0.1242
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0023	0.0023	0.1756
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.001	0	0.0003
Onchocerca volvulus		0.0052	0.007	0.2217
Echinococcus granulosus	cathepsin L	0.0027	0.0029	0.0899
Loa Loa (eye worm)	hypothetical protein	0.0363	0.0585	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0011	0.0002	0.0066
Toxoplasma gondii	Kazal-type serine protease inhibitor domain-containing protein	0.0106	0.0159	0.5014
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.007	0.5407
Echinococcus multilocularis	cysteinyl tRNA synthetase	0.0088	0.013	0.1807
Trypanosoma cruzi	cysteine protease, putative	0.0027	0.0029	0.0899
Echinococcus granulosus	cysteinyl tRNA synthetase	0.0088	0.013	0.4101
Trypanosoma cruzi	MFS transporter, putative	0.0201	0.0317	1
Trichomonas vaginalis	ABC transporter, putative	0.0023	0.0023	0.1756
Onchocerca volvulus	Cathepsin L homolog	0.0052	0.007	0.2217
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0059	0.0812
Schistosoma mansoni	hypothetical protein	0.0011	0.0002	0.0036
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0054	0.0074	0.2329
Trypanosoma cruzi	cysteinyl-tRNA synthetase, putative	0.0088	0.013	0.4101
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0052	0.007	0.5407
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0052	0.007	0.5407
Schistosoma mansoni	smdr2	0.0023	0.0023	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0016	0.0276
Echinococcus granulosus	multidrug resistance protein 1	0.0023	0.0023	0.072
Trypanosoma cruzi	cysteine proteinase, putative	0.0027	0.0029	0.0899
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0159	0.2719
Brugia malayi	secreted modular calcium-binding protein 1	0.0106	0.0159	0.2719
Entamoeba histolytica	P-glyco protein 6, putative	0.0023	0.0023	0.1756
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.001	0	0.0006
Mycobacterium tuberculosis	Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.6047	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0023	0.0023	0.1756
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0013	0.0215
Plasmodium vivax	cysteine--tRNA ligase, putative	0.0088	0.013	1
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0159	0.2719

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= -7.9	Binding affinity against cloned human 5-hydroxytryptamine 1B receptor	ChEMBL.	16153839
Ki (binding)	= -6.6	Binding affinity against cloned human 5-hydroxytryptamine 1D receptor	ChEMBL.	16153839
Log Ki (binding)	= 6.6	Binding affinity against cloned human 5-hydroxytryptamine 1D receptor	ChEMBL.	16153839
Log Ki (binding)	= 7.9	Binding affinity against cloned human 5-hydroxytryptamine 1B receptor	ChEMBL.	16153839

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: CHEMBL370896

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 338560