TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 382.471 | Formula: C23H27FN2O2
H donors: 0 H acceptors: 0 LogP: 4.17 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: FCCCOc1cccc(c1)CN1CCN(CC1)Cc1cc2c(o1)cccc2
InChi: 1S/C23H27FN2O2/c24-9-4-14-27-21-7-3-5-19(15-21)17-25-10-12-26(13-11-25)18-22-16-20-6-1-2-8-23(20)28-22/h1-3,5-8,15-16H,4,9-14,17-18H2
InChiKey: YVFOUXAUJUJYKV-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	dopamine receptor D2	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 2B, G protein-coupled	Starlite/ChEMBL	References
Rattus norvegicus	Sigma opioid receptor	Starlite/ChEMBL	References
Homo sapiens	5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma mansoni	biogenic amine (5HT) receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Brugia malayi	ERG2 and Sigma1 receptor like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania major	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma brucei gambiense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania infantum	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Trypanosoma cruzi	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma japonicum	ko:K04153 5-hydroxytryptamine (serotonin) receptor 1A, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus granulosus	hypothetical protein	Get druggable targets OG5_144688	All targets in OG5_144688
Trypanosoma congolense	C-8 sterol isomerase, putative	Get druggable targets OG5_131051	All targets in OG5_131051
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131051	All targets in OG5_131051
Schistosoma japonicum	Octopamine receptor, putative	Get druggable targets OG5_133249	All targets in OG5_133249
Leishmania mexicana	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Leishmania donovani	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_133249	All targets in OG5_133249
Leishmania braziliensis	C-8 sterol isomerase-like protein	Get druggable targets OG5_131051	All targets in OG5_131051
Echinococcus multilocularis	conserved hypothetical protein	Get druggable targets OG5_144688	All targets in OG5_144688
Schistosoma japonicum	expressed protein	Get druggable targets OG5_133249	All targets in OG5_133249
Candida albicans	sterol C8-C7 isomerase	Get druggable targets OG5_131051	All targets in OG5_131051
Echinococcus multilocularis	serotonin receptor	Get druggable targets OG5_133249	All targets in OG5_133249
Echinococcus granulosus	biogenic amine 5HT receptor	Get druggable targets OG5_133249	All targets in OG5_133249

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0091	0.0359	0.1105
Mycobacterium ulcerans	lipase LipD	0.011	0.0514	0.1914
Plasmodium vivax	aspartyl proteinase, putative	0.0096	0.0398	0.7745
Mycobacterium tuberculosis	Probable lipase LipD	0.011	0.0514	0.0966
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0119	0.0583	0.2176
Schistosoma mansoni	neprilysin-2 (M13 family)	0.0191	0.1153	0.1089
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0132	0.0688	0.1301
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0139	0.0067
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0096	0.0398	0.0557
Schistosoma mansoni	hypothetical protein	0.0099	0.0424	0.0354
Trichomonas vaginalis	penicillin-binding protein, putative	0.011	0.0514	1
Loa Loa (eye worm)	hypothetical protein	0.028	0.1855	0.587
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0096	0.0398	0.123
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0119	0.0583	0.1099
Brugia malayi	Hemopexin family protein	0.0054	0.0073	0.0193
Echinococcus granulosus	geminin	0.0166	0.0952	0.1479
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.014	0.0744	0.1118
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0139	0.0405
Echinococcus granulosus	biogenic amine 5HT receptor	0.0175	0.1025	0.1592
Loa Loa (eye worm)	hypothetical protein	0.011	0.0514	0.1599
Plasmodium vivax	glutathione reductase, putative	0.0052	0.0055	0.1073
Loa Loa (eye worm)	hypothetical protein	0.0445	0.3152	1
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0379	0.2636	0.8357
Echinococcus multilocularis	beta LACTamase domain containing family member	0.011	0.0514	0.0745
Brugia malayi	RNA binding protein	0.0063	0.0139	0.0405
Schistosoma mansoni	hypothetical protein	0.0166	0.0952	0.0886
Echinococcus multilocularis	acetylcholinesterase	0.0069	0.0184	0.021
Plasmodium falciparum	plasmepsin II	0.0096	0.0398	1
Brugia malayi	beta-lactamase family protein	0.011	0.0514	0.1599
Echinococcus multilocularis	serotonin receptor	0.0175	0.1025	0.1574
Mycobacterium ulcerans	zinc metalloprotease	0.0379	0.2636	1
Schistosoma mansoni	hypothetical protein	0.0099	0.0424	0.0354
Echinococcus granulosus	L aminoadipate semialdehyde	0.0081	0.0281	0.0437
Brugia malayi	latrophilin 2 splice variant baaae	0.0062	0.0133	0.0384
Schistosoma mansoni	cathepsin D (A01 family)	0.0282	0.1869	0.181
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0139	0.0137
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.011	0.0514	0.1599
Echinococcus multilocularis	geminin	0.0166	0.0952	0.1456
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0398	0.123
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0132	0.0688	0.1301
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0281	0.0858
Schistosoma mansoni	hypothetical protein	0.0099	0.0424	0.0354
Mycobacterium tuberculosis	Conserved protein	0.011	0.0514	0.0966
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.014	0.0744	0.1156
Mycobacterium tuberculosis	Probable dehydrogenase	0.0119	0.0583	0.1099
Trichomonas vaginalis	D-aminoacylase, putative	0.011	0.0514	1
Plasmodium vivax	plasmepsin IV, putative	0.0096	0.0398	0.7745
Brugia malayi	Carboxylesterase family protein	0.0069	0.0184	0.0549
Mycobacterium ulcerans	esterase/lipase LipP	0.011	0.0514	0.1914
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0239	0.1526	0.1464
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0081	0.0281	0.0367
Loa Loa (eye worm)	zinc metallopeptidase 4	0.0092	0.0372	0.1147
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0132	0.0688	0.2575
Brugia malayi	acetyltransferase, GNAT family protein	0.0154	0.0856	0.2689
Echinococcus granulosus	carboxylesterase 5A	0.0069	0.0184	0.0286
Schistosoma mansoni	hypothetical protein	0.0062	0.0133	0.006
Echinococcus multilocularis	carboxylesterase 5A	0.0069	0.0184	0.021
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0096	0.0398	0.0328
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0052	0.0055	0.0083
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0139	0.0216
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.0514	0.1482
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0096	0.0398	0.1511
Loa Loa (eye worm)	acetylcholinesterase 1	0.0069	0.0184	0.0549
Trichomonas vaginalis	D-aminoacylase, putative	0.011	0.0514	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.011	0.0514	0.1914
Loa Loa (eye worm)	hypothetical protein	0.0379	0.2636	0.8357
Brugia malayi	Carboxylesterase family protein	0.0069	0.0184	0.0549
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0139	0.0405
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0119	0.0583	0.1099
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0149	0.0822	0.1277
Brugia malayi	glutathione reductase	0.0052	0.0055	0.0137
Loa Loa (eye worm)	peptidase family M13 containing protein	0.028	0.1855	0.587
Trypanosoma cruzi	hypothetical protein, conserved	0.011	0.0514	0.1482
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.011	0.0514	0.0966
Onchocerca volvulus		0.011	0.0514	0.4192
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0379	0.2636	0.2582
Loa Loa (eye worm)	hypothetical protein	0.011	0.0514	0.1599
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1907	0.6036
Loa Loa (eye worm)	hypothetical protein	0.0379	0.2636	0.8357
Mycobacterium tuberculosis	Conserved protein	0.011	0.0514	0.0966
Echinococcus multilocularis	acetylcholinesterase	0.0069	0.0184	0.021
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0184	0.0549
Loa Loa (eye worm)	hypothetical protein	0.011	0.0514	0.1599
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0191	0.1153	0.1089
Loa Loa (eye worm)	matrixin family protein	0.0085	0.0315	0.0964
Mycobacterium tuberculosis	Conserved protein	0.011	0.0514	0.0966
Brugia malayi	beta-lactamase	0.011	0.0514	0.1599
Echinococcus granulosus	beta LACTamase domain containing family member	0.011	0.0514	0.0798
Loa Loa (eye worm)	hypothetical protein	0.0227	0.1437	0.4537
Toxoplasma gondii	aspartyl protease ASP1	0.0096	0.0398	0.1511
Onchocerca volvulus		0.011	0.0514	0.4192
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0096	0.0398	0.0618
Plasmodium falciparum	plasmepsin VI	0.0096	0.0398	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0359	0.1105
Mycobacterium tuberculosis	Probable reductase	0.0119	0.0583	0.1099
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1907	0.6036
Plasmodium vivax	thioredoxin reductase, putative	0.0052	0.0055	0.1073
Onchocerca volvulus		0.011	0.0514	0.4192
Schistosoma mansoni	hypothetical protein	0.0166	0.0952	0.0886
Echinococcus granulosus	acetylcholinesterase	0.0069	0.0184	0.0286
Brugia malayi	TAR-binding protein	0.0063	0.0139	0.0405
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.011	0.0514	0.0966
Toxoplasma gondii	ABC1 family protein	0.011	0.0514	0.1951
Loa Loa (eye worm)	matrixin family protein	0.0093	0.0375	0.1157
Schistosoma mansoni	neprilysin	0.0099	0.0424	0.0354
Brugia malayi	Peptidase family M13 containing protein	0.0379	0.2636	0.8357
Trichomonas vaginalis	esterase, putative	0.011	0.0514	1
Loa Loa (eye worm)	hypothetical protein	0.0379	0.2636	0.8357
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1907	0.6036
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0099	0.0424	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0133	0.0384
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0091	0.0359	0.1105
Echinococcus granulosus	endothelin converting enzyme 1	0.0379	0.2636	0.4093
Schistosoma mansoni	endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase)	0.0092	0.0372	0.0302
Trichomonas vaginalis	D-aminoacylase, putative	0.011	0.0514	1
Mycobacterium leprae	probable zinc metalloprotease	0.0379	0.2636	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0119	0.0583	0.1099
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1025	0.3226
Schistosoma mansoni	hypothetical protein	0.0099	0.0424	0.0354
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0139	0.0405
Toxoplasma gondii	thioredoxin reductase	0.0052	0.0055	0.0209
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0184	0.0549
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0081	0.0281	0.021
Mycobacterium leprae	Probable lipase LipE	0.011	0.0514	0.1914
Mycobacterium tuberculosis	Probable lipase LipE	0.011	0.0514	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1907	0.6036
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0139	0.0067
Echinococcus multilocularis	serotonin receptor	0.0175	0.1025	0.1574
Brugia malayi	peptidase family M13 containing protein	0.0092	0.0372	0.1147
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0092	0.0372	0.0302
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0139	0.0067
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0139	0.0067
Mycobacterium ulcerans	beta-lactamase	0.011	0.0514	0.1914
Loa Loa (eye worm)	hypothetical protein	0.011	0.0514	0.1599
Echinococcus multilocularis	endothelin converting enzyme 1	0.0379	0.2636	0.4187
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.011	0.0514	0.0445
Schistosoma mansoni	hypothetical protein	0.0099	0.0424	0.0354
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0091	0.0359	0.1105
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0379	0.2636	0.5051
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0141	0.0759	0.2378
Loa Loa (eye worm)	thioredoxin reductase	0.0052	0.0055	0.0137
Leishmania major	C-8 sterol isomerase-like protein	0.0445	0.3152	1
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0085	0.0315	0.23
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0445	0.3152	1
Echinococcus multilocularis	conserved hypothetical protein	0.0833	0.6219	1
Brugia malayi	Matrixin family protein	0.0093	0.0375	0.1157
Mycobacterium leprae	conserved hypothetical protein	0.011	0.0514	0.1914
Loa Loa (eye worm)	glutathione reductase	0.0052	0.0055	0.0137
Loa Loa (eye worm)	hypothetical protein	0.028	0.1855	0.587
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0081	0.0281	0.0858
Mycobacterium tuberculosis	Probable hydrolase	0.011	0.0514	0.0966
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0154	0.0856	0.13
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0092	0.0372	0.0302
Onchocerca volvulus		0.0188	0.1126	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0705	0.5207	1
Loa Loa (eye worm)	hypothetical protein	0.028	0.1855	0.587
Mycobacterium tuberculosis	Probable esterase LipL	0.011	0.0514	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1907	0.6036
Trichomonas vaginalis	penicillin-binding protein, putative	0.011	0.0514	1
Loa Loa (eye worm)	hypothetical protein	0.0188	0.1126	0.3548
Loa Loa (eye worm)	peptidase family M13 containing protein	0.028	0.1855	0.587
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0445	0.3152	1
Loa Loa (eye worm)	hypothetical protein	0.011	0.0514	0.1599
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0141	0.0759	0.1178
Echinococcus granulosus	acetylcholinesterase	0.0069	0.0184	0.0286
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0191	0.1153	0.1089
Mycobacterium tuberculosis	Probable oxidoreductase	0.0132	0.0688	0.1301
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0069	0.0184	0.0113
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0139	0.0405
Loa Loa (eye worm)	hypothetical protein	0.011	0.0514	0.1599
Brugia malayi	beta-lactamase family protein	0.011	0.0514	0.1599
Mycobacterium ulcerans	hypothetical protein	0.011	0.0514	0.1914
Onchocerca volvulus		0.0081	0.0281	0.1983
Schistosoma mansoni	cathepsin D (A01 family)	0.0282	0.1869	0.181
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.011	0.0514	0.1599
Plasmodium vivax	hypothetical protein, conserved	0.011	0.0514	1
Loa Loa (eye worm)	beta-lactamase	0.011	0.0514	0.1599
Loa Loa (eye worm)	hypothetical protein	0.028	0.1855	0.587
Leishmania major	hypothetical protein, conserved	0.011	0.0514	0.1482
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0092	0.0372	0.0302
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0141	0.0759	0.1141
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0119	0.0583	0.1099
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0139	0.0067
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.011	0.0514	0.0445
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0141	0.0759	0.0691
Trypanosoma brucei	hypothetical protein, conserved	0.011	0.0514	0.1482
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0154	0.0856	0.0789
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0141	0.0759	0.1178
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0141	0.0759	0.1141
Brugia malayi	Thioredoxin reductase	0.0052	0.0055	0.0137
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0445	0.3152	1
Schistosoma mansoni	hypothetical protein	0.0099	0.0424	0.0354
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.011	0.0514	0.0966
Plasmodium falciparum	plasmepsin IV	0.0096	0.0398	1
Loa Loa (eye worm)	carboxylesterase	0.0069	0.0184	0.0549
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0092	0.0372	0.0302
Schistosoma mansoni	endothelin-converting enzyme-related	0.0092	0.0372	0.0302
Echinococcus granulosus	hypothetical protein	0.0861	0.644	1
Loa Loa (eye worm)	acetyltransferase	0.0154	0.0856	0.2689
Echinococcus granulosus	thioredoxin glutathione reductase	0.0052	0.0055	0.0086
Mycobacterium ulcerans	short chain dehydrogenase	0.0291	0.194	0.7346
Plasmodium falciparum	plasmepsin I	0.0096	0.0398	1
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0191	0.1153	0.1089
Mycobacterium tuberculosis	Probable oxidoreductase	0.0291	0.194	0.371
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.0191	0.1153	0.1089
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0141	0.0759	0.0691
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0141	0.0759	0.2378
Loa Loa (eye worm)	hypothetical protein	0.0175	0.1025	0.3226
Onchocerca volvulus	Matrilysin homolog	0.0085	0.0315	0.23
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0096	0.0398	0.7745
Toxoplasma gondii	peptidase family M13 protein	0.0379	0.2636	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0141	0.0759	0.0691
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0175	0.1025	0.0959
Loa Loa (eye worm)	hypothetical protein	0.0287	0.1907	0.6036

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 188 nM	Binding affinity to 5HT2B	ChEMBL.	20662542
Ki (binding)	= 232 nM	Displacement of [3H]pentazocine from sigma1 receptor in rat brain homogenate	ChEMBL.	20662542
Ki (binding)	= 599 nM	Binding affinity to 5HT1A	ChEMBL.	20662542
Ki (binding)	= 2920 nM	Binding affinity to dopamine D2	ChEMBL.	20662542

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL1214960

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1173846