TDR Targets

Basic information

Technical information

TDR Targets ID: 1451372
Name: [2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]no nan-7-yl]-(thiadiazol-4-yl)methanone
MW: 329.42 | Formula: C16H19N5OS
H donors: 0 H acceptors: 4 LogP: 1.07 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1csnn1)N1CCC2(CC1)CN(C2)Cc1ccncc1
InChi: 1S/C16H19N5OS/c22-15(14-10-23-19-18-14)21-7-3-16(4-8-21)11-20(12-16)9-13-1-5-17-6-2-13/h1-2,5-6,10H,3-4,7-9,11-12H2
InChiKey: RZOZLRUTNFSPGL-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

[2-(4-pyridylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(thiadiazol-4-yl)methanone
[2-(4-pyridylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(4-thiadiazolyl)methanone
[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]-(1,2,3-thiadiazol-4-yl)methanone
NCGC00012683
PCOP-909034

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily D, polypeptide 6	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 1, subfamily A, polypeptide 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %
Brugia malayi	cytochrome P450	cytochrome P450, family 2, subfamily D, polypeptide 6	497 aa	425 aa	32.0 %
Brugia malayi	Cytochrome P450 family protein	cytochrome P450, family 1, subfamily A, polypeptide 2	516 aa	470 aa	26.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	mothers against decapentaplegic 2	0.0027	0.0188	0.0315
Schistosoma mansoni	cytochrome P450	0.0021	0.0123	0.0191
Schistosoma mansoni	Smad4	0.0027	0.0188	0.0315
Schistosoma mansoni	hypothetical protein	0.0084	0.0839	0.1553
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0061	0.0569	0.104
Trichomonas vaginalis	GTP-binding protein (z) alpha subunit, gnaz, putative	0.002	0.0112	1
Brugia malayi	Cytochrome P450 family protein	0.0067	0.0647	0.0626
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase 46	0.0013	0.0022	0.0022
Loa Loa (eye worm)	nuclear factor I	0.0034	0.0261	0.0261
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0.0243	0.1107
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.002	0.0112	0.017
Leishmania major	cytochrome p450-like protein	0.0021	0.0123	0.0504
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.002	0.0112	0.017
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0243	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0206	0.2222	0.2222
Brugia malayi	guanine nucleotide-binding protein G-o protein alpha subunit	0.002	0.0112	0.009
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022
Echinococcus granulosus	mothers against decapentaplegic 5	0.0061	0.0569	0.104
Brugia malayi	Isocitrate dehydrogenase	0.0049	0.0434	0.0413
Echinococcus multilocularis	tar DNA binding protein	0.027	0.2953	0.3319
Brugia malayi	GTP-binding regulatory protein alpha chain - starfish, putative	0.002	0.0112	0.009
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0434	0.0467
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.002	0.0112	0.009
Leishmania major	cytochrome p450-like protein	0.0032	0.0243	0.1107
Brugia malayi	G-protein alpha subunit	0.002	0.0112	0.009
Loa Loa (eye worm)	MH2 domain-containing protein	0.0889	1	1
Loa Loa (eye worm)	MH1 domain-containing protein	0.0027	0.0188	0.0188
Plasmodium falciparum	ataxin-2 like protein, putative	0.0188	0.2018	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022
Loa Loa (eye worm)	RNA binding protein	0.027	0.2953	0.2953
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0243	0.0243
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0027	0.0188	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1171	0.1171
Toxoplasma gondii	isocitrate dehydrogenase	0.0049	0.0434	0.2065
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 14	0.0013	0.0022	0.5
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.002	0.0112	0.017
Loa Loa (eye worm)	CYP4Cod1	0.0032	0.0243	0.0243
Mycobacterium leprae	putative cytochrome p450	0.0021	0.0123	0.5
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0027	0.0188	0.0188
Loa Loa (eye worm)	heterotrimeric G protein alpha subunit	0.002	0.0112	0.0112
Brugia malayi	latrophilin 2 splice variant baaae	0.0245	0.267	0.2654
Plasmodium falciparum	ataxin-2 like protein, putative	0.0188	0.2018	1
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.002	0.0112	1
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 14	0.0013	0.0022	0.5
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0243	0.0222
Brugia malayi	MH1 domain containing protein	0.0034	0.0261	0.0239
Brugia malayi	RNA binding protein	0.027	0.2953	0.2938
Schistosoma mansoni	GTP-binding protein (I) alpha subunit gnai	0.002	0.0112	0.017
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.002	0.0112	0.017
Schistosoma mansoni	hypothetical protein	0.0021	0.0123	0.0191
Onchocerca volvulus		0.002	0.0112	0.0407
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.002	0.0112	0.017
Loa Loa (eye worm)	hypothetical protein	0.0245	0.267	0.267
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0049	0.0434	0.2065
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0434	0.2065
Brugia malayi	MH1 domain containing protein	0.0034	0.0261	0.0239
Loa Loa (eye worm)	hypothetical protein	0.002	0.0112	0.0112
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.002	0.0112	0.017
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0359	0.3962	0.3949
Echinococcus multilocularis		0.0021	0.0123	0.0114
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0114	0.1171	0.1301
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0013	0.0022	0.0022
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.002	0.0112	1
Schistosoma mansoni	hypothetical protein	0.0114	0.1171	0.2185
Loa Loa (eye worm)	Smad1	0.0061	0.0569	0.0569
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0475	0.5281	0.5271
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022
Brugia malayi	Smad1	0.0061	0.0569	0.0548
Brugia malayi	Cytochrome P450 family protein	0.0021	0.0123	0.0101
Schistosoma mansoni	trimeric G-protein alpha o subunit	0.002	0.0112	0.017
Brugia malayi	TAR-binding protein	0.027	0.2953	0.2938
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.002	0.0112	0.017
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0013	0.0022	0.5
Schistosoma mansoni	tar DNA-binding protein	0.027	0.2953	0.5573
Loa Loa (eye worm)	G protein alpha subunit 3	0.002	0.0112	0.0112
Schistosoma mansoni	tar DNA-binding protein	0.027	0.2953	0.5573
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0475	0.5281	1
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0049	0.0434	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022
Echinococcus multilocularis	expressed protein	0.002	0.0112	0.0101
Brugia malayi	guanine nucleotide-binding protein alpha-3 subunit, putative	0.002	0.0112	0.009
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0061	0.0569	0.0619
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0434	0.2065
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0049	0.0434	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0114	0.1171	0.2185
Echinococcus granulosus	Smad4	0.0061	0.0569	0.104
Schistosoma mansoni	GTP-binding protein alpha subunit	0.002	0.0112	0.017
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0789	0.8854	1
Schistosoma mansoni	Smad4	0.0027	0.0188	0.0315
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0061	0.0569	0.0619
Brugia malayi	guanine nucleotide-binding protein alpha-7 subunit, putative	0.002	0.0112	0.009
Echinococcus granulosus	gtp binding protein I alpha 1subunit	0.002	0.0112	0.017
Loa Loa (eye worm)	GTP-binding regulatory protein alpha chain	0.002	0.0112	0.0112
Brugia malayi	hypothetical protein	0.0188	0.2018	0.2001
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.002	0.0112	0.017
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0359	0.3962	0.3962
Echinococcus granulosus	expressed protein	0.002	0.0112	0.017
Brugia malayi	guanine nucleotide-binding protein G(o), alpha subunit, putative	0.002	0.0112	0.009
Entamoeba histolytica	G protein alpha subunit, putative	0.002	0.0112	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0112	0.0112
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0084	0.0839	0.1553
Brugia malayi	MH1 domain containing protein	0.0061	0.0569	0.0548
Brugia malayi	MH2 domain containing protein	0.0061	0.0569	0.0548
Brugia malayi	Latrophilin receptor protein 2	0.0114	0.1171	0.1152
Brugia malayi	mothers against decapentaplegic homolog 3	0.0027	0.0188	0.0166
Schistosoma mansoni	smad	0.0027	0.0188	0.0315
Leishmania major	cytochrome p450-like protein	0.0021	0.0123	0.0504
Echinococcus granulosus	mothers against decapentaplegic 6	0.0027	0.0188	0.0315
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0243	0.0243
Schistosoma mansoni	tar DNA-binding protein	0.027	0.2953	0.5573
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0261	0.0261
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0013	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.002	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022
Echinococcus granulosus	tar DNA binding protein	0.027	0.2953	0.5573
Toxoplasma gondii	LsmAD domain-containing protein	0.0188	0.2018	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0475	0.5281	1
Brugia malayi	MH2 domain containing protein	0.0027	0.0188	0.0166
Brugia malayi	N-terminal motif family protein	0.0206	0.2222	0.2205
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0475	0.5281	0.5954
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.002	0.0112	0.017
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-12 subunit	0.002	0.0112	0.0112
Leishmania major	hypothetical protein, conserved	0.0188	0.2018	1
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0013	0.0022	0.0022
Echinococcus multilocularis	smad	0.0061	0.0569	0.0619
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.002	0.0112	1
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0021	0.0123	0.0504
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.002	0.0112	0.017
Onchocerca volvulus	Mothers against decapentaplegic homolog	0.0027	0.0188	0.0753
Onchocerca volvulus		0.002	0.0112	0.0407
Brugia malayi	hypothetical protein	0.002	0.0112	0.009
Schistosoma mansoni	hypothetical protein	0.0245	0.267	0.5035
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0049	0.0434	0.2065
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0475	0.5281	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0114	0.1171	0.1301
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.002	0.0112	0.0101
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0013	0.0022	0.0022
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0434	0.0467
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0475	0.5281	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0188	0.2018	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0475	0.5281	0.5281
Loa Loa (eye worm)	hypothetical protein	0.0188	0.2018	0.2018
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0061	0.0569	0.104
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0049	0.0434	0.0434
Brugia malayi	MH2 domain containing protein	0.0061	0.0569	0.0548
Loa Loa (eye worm)	MH2 domain-containing protein	0.0061	0.0569	0.0569
Trypanosoma cruzi	PAB1-binding protein , putative	0.0188	0.2018	1
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0013	0.0022	0.5
Loa Loa (eye worm)	cytochrome P450 family protein	0.0067	0.0647	0.0647
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0049	0.0434	0.0467
Schistosoma mansoni	Smad4	0.0061	0.0569	0.104
Toxoplasma gondii	isocitrate dehydrogenase	0.0049	0.0434	0.2065
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0021	0.0123	0.0504
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0114	0.1171	0.1171
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.002	0.0112	0.017
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.002	0.0112	0.009
Schistosoma mansoni	hypothetical protein	0.0114	0.1171	0.2185
Schistosoma mansoni	smad	0.0061	0.0569	0.104
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0188	0.0188
Trypanosoma cruzi	PAB1-binding protein , putative	0.0188	0.2018	1
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0021	0.0123	0.0504
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0206	0.2222	1
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0013	0.0022	0.0022
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0049	0.0434	0.0784
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0032	0.0243	1
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.002	0.0112	0.0101
Schistosoma mansoni	smad1 5 8 and	0.0061	0.0569	0.104
Brugia malayi	Guanine nucleotide-binding protein alpha-12 subunit, putative	0.002	0.0112	0.009
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0084	0.0839	0.0925
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0013	0.0022	0.0022
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0049	0.0434	0.0467
Brugia malayi	Guanine nucleotide-binding protein alpha-6 subunit, putative	0.002	0.0112	0.009
Loa Loa (eye worm)	MH2 domain-containing protein	0.0027	0.0188	0.0188
Echinococcus multilocularis	Smad4	0.0061	0.0569	0.0619
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0013	0.0022	0.0022
Echinococcus multilocularis	isocitrate dehydrogenase	0.0049	0.0434	0.0467
Echinococcus granulosus	cytochrome P450 2K1	0.0021	0.0123	0.0191
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0021	0.0123	0.0504
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.002	0.0112	0.0101
Brugia malayi	RNA recognition motif domain containing protein	0.027	0.2953	0.2938
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.002	0.0112	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022
Schistosoma mansoni	smad1 5 8 and	0.0061	0.0569	0.104
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0049	0.0434	0.2065
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.002	0.0112	0.017
Loa Loa (eye worm)	hypothetical protein	0.002	0.0112	0.0112
Loa Loa (eye worm)	cytochrome P450	0.0021	0.0123	0.0123
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0114	0.1171	0.2185
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0021	0.0123	0.0504
Loa Loa (eye worm)	MH1 domain-containing protein	0.0061	0.0569	0.0569
Brugia malayi	cytochrome P450	0.0021	0.0123	0.0101
Brugia malayi	isocitrate dehydrogenase	0.0049	0.0434	0.0413
Loa Loa (eye worm)	hypothetical protein	0.0359	0.3962	0.3962
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.002	0.0112	0.017
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-6 subunit	0.002	0.0112	0.0112
Loa Loa (eye worm)	transcription factor SMAD2	0.0889	1	1
Echinococcus granulosus	GPCR family 2	0.0114	0.1171	0.2185
Loa Loa (eye worm)	ubiquitin specific peptidase 39	0.0013	0.0022	0.0022
Loa Loa (eye worm)	hypothetical protein	0.002	0.0112	0.0112
Schistosoma mansoni	hypothetical protein	0.0114	0.1171	0.2185
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0049	0.0434	0.2065
Schistosoma mansoni	GTP-binding protein alpha subunit	0.002	0.0112	0.017
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0021	0.0123	0.0504
Echinococcus multilocularis	GPCR, family 2	0.0114	0.1171	0.1301
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.027	0.2953	0.2953
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0475	0.5281	1
Schistosoma mansoni	smad1 5 8 and	0.0061	0.0569	0.104
Giardia lamblia	DUB-1	0.0013	0.0022	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0188	0.2018	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0114	0.1171	0.1152
Echinococcus granulosus	smad	0.0061	0.0569	0.104
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0475	0.5281	0.5954
Trichomonas vaginalis	GTP-binding protein (O) alpha subunit, gnao, putative	0.002	0.0112	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0049	0.0434	0.2065
Schistosoma mansoni	tar DNA-binding protein	0.027	0.2953	0.5573
Brugia malayi	MH1 domain containing protein	0.0061	0.0569	0.0548
Trypanosoma brucei	cytochrome P450, putative	0.0032	0.0243	0.1107
Echinococcus multilocularis	gtp binding protein (I) alpha 1subunit	0.002	0.0112	0.0101
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0359	0.3962	0.3949
Trichomonas vaginalis	GTP-binding protein (q) alpha-11 subunit, gna11, putative	0.002	0.0112	1
Mycobacterium leprae	Conserved hypothetical protein	0.0021	0.0123	0.5
Onchocerca volvulus		0.002	0.0112	0.0407
Schistosoma mansoni	hypothetical protein	0.0114	0.1171	0.2185
Giardia lamblia	Hypothetical protein	0.0013	0.0022	0.5
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022
Trichomonas vaginalis	G protein (olf) alpha subunit, gnal, putative	0.002	0.0112	1
Loa Loa (eye worm)	ubiquitin carboxyl-terminal hydrolase	0.0013	0.0022	0.0022
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0.0243	0.1107
Brugia malayi	hypothetical protein	0.0121	0.126	0.1241
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.002	0.0112	0.0101
Loa Loa (eye worm)	TAR-binding protein	0.027	0.2953	0.2953
Schistosoma mansoni	tar DNA-binding protein	0.027	0.2953	0.5573
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0022	0.0022

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)	= 7.943282347 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 10 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 10 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 10 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 15.84893192 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Potency (ADMET)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2D6. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference

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: CHEMBL1590968

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1451372