TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 390.457 | Formula: C18H22N4O4S
H donors: 2 H acceptors: 4 LogP: 0.53 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)N1CCOCC1)NCc1cccnc1C
InChi: 1S/C18H22N4O4S/c1-14-15(3-2-8-19-14)13-20-18(23)21-16-4-6-17(7-5-16)27(24,25)22-9-11-26-12-10-22/h2-8H,9-13H2,1H3,(H2,20,21,23)
InChiKey: LGPJTHLZYRDJLT-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	nicotinamide phosphoribosyltransferase	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	nicotinate phosphoribosyltransferase related pre-B cell enhancing factor	Get druggable targets OG5_133520	All targets in OG5_133520
Schistosoma japonicum	ko:K03462 nicotinamide phosphoribosyltransferase [EC2.4.2.12], putative	Get druggable targets OG5_133520	All targets in OG5_133520
Brugia malayi	Pre-B cell enhancing factor precursor	Get druggable targets OG5_133520	All targets in OG5_133520
Schistosoma japonicum	ko:K03462 nicotinamide phosphoribosyltransferase [EC2.4.2.12], putative	Get druggable targets OG5_133520	All targets in OG5_133520
Echinococcus granulosus	nicotinamide phosphoribosyltransferase	Get druggable targets OG5_133520	All targets in OG5_133520
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Echinococcus multilocularis	nicotinamide phosphoribosyltransferase	Get druggable targets OG5_133520	All targets in OG5_133520
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Loa Loa (eye worm)	pre-B cell enhancing factor	Get druggable targets OG5_133520	All targets in OG5_133520

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0062	0.0081	0.546
Onchocerca volvulus		0.0069	0.0101	0.0282
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0062	0.0081	0.4105
Trypanosoma cruzi	hypothetical protein, conserved	0.0062	0.0081	0.546
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0062	0.0081	0.0312
Loa Loa (eye worm)	cytochrome P450 family protein	0.0053	0.0057	0.016
Onchocerca volvulus		0.0069	0.0101	0.0282
Leishmania major	hypothetical protein, conserved	0.0062	0.0081	0.546
Plasmodium vivax	thrombospondin-related anonymous protein	0.0069	0.0101	0.1691
Schistosoma mansoni	hypothetical protein	0.0033	0.0003	0.0008
Brugia malayi	Zona pellucida-like domain containing protein	0.0069	0.0101	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0062	0.0081	0.0312
Brugia malayi	hypothetical protein	0.0062	0.0081	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0062	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0058	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0062	0.0081	0.0232
Plasmodium falciparum	hexose transporter	0.0104	0.0196	1
Plasmodium vivax	dynein-related AAA-type ATPase, putative	0.0069	0.0101	0.1691
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0045	0.0168
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0062	0.0081	0.4105
Plasmodium vivax	hypothetical protein, conserved	0.0069	0.0101	0.1691
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.0196	0.0196
Onchocerca volvulus		0.0069	0.0101	0.0282
Loa Loa (eye worm)	CUTiclin-Like family member	0.0069	0.0101	0.029
Brugia malayi	Pre-B cell enhancing factor precursor	0.0418	0.1051	0.4215
Brugia malayi	von Willebrand factor type A domain containing protein	0.0069	0.0101	0.0391
Loa Loa (eye worm)	TWK-28 protein	0.0062	0.0081	0.0232
Brugia malayi	von Willebrand factor type A domain containing protein	0.0069	0.0101	0.0391
Echinococcus multilocularis	serotonin receptor	0.015	0.0322	0.0322
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Schistosoma mansoni	nicotinate phosphoribosyltransferase related pre-B cell enhancing factor	0.0078	0.0124	0.0288
Leishmania major	nicotinate phosphoribosyltransferase, putative	0.0078	0.0124	0.8404
Trichomonas vaginalis	nicotinate phosphoribosyltransferase, putative	0.0078	0.0124	0.6318
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0104	0.0196	0.0196
Echinococcus multilocularis	serotonin receptor	0.015	0.0322	0.0322
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0946	0.2489	0.7413
Brugia malayi	von Willebrand factor type A domain containing protein	0.0069	0.0101	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Leishmania major	hypothetical protein, conserved	0.0062	0.0081	0.546
Leishmania major	potassium channel subunit-like protein	0.0062	0.0081	0.546
Schistosoma mansoni	serine/threonine protein kinase	0.0305	0.0742	0.1721
Brugia malayi	hypothetical protein	0.0062	0.0081	0.0312
Entamoeba histolytica	hypothetical protein	0.0069	0.0101	0.4504
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0062	0.0081	0.0312
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0069	0.0101	0.0391
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0104	0.0196	0.0196
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0062	0.0081	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Plasmodium falciparum	telomerase reverse transcriptase	0.0086	0.0148	0.579
Echinococcus multilocularis	calcium activated potassium channel variant	0.0062	0.0081	0.0081
Schistosoma mansoni	hypothetical protein	0.087	0.2283	0.5292
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Schistosoma mansoni	twik family of potassium channels-related	0.0062	0.0081	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Echinococcus granulosus	twik family of potassium channels	0.0062	0.0081	0.0081
Plasmodium vivax	circumsporozoite- and TRAP-related protein, putative	0.0069	0.0101	0.1691
Schistosoma mansoni	metabotropic glutamate receptor	0.0036	0.0012	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Echinococcus multilocularis	small conductance calcium activated potassium	0.1265	0.3356	0.3356
Onchocerca volvulus		0.0304	0.0741	0.9549
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0062	0.0081	0.546
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0062	0.0081	0.546
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0062	0.0081	0.0232
Schistosoma mansoni	hypothetical protein	0.0104	0.0196	0.0455
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0039	0.002	0.0066
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0062	0.0081	0.0312
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0062	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Schistosoma mansoni	nicotinate phosphoribosyltransferase related pre-B cell enhancing factor	0.0418	0.1051	0.2437
Schistosoma mansoni	hypothetical protein	0.0069	0.0101	0.0233
Schistosoma mansoni	twik family of potassium channels-related	0.0062	0.0081	0.0188
Treponema pallidum	nicotinate phosphoribosyltransferase	0.0078	0.0124	1
Echinococcus multilocularis	potassium channel subfamily K 8	0.0062	0.0081	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Schistosoma mansoni	amine GPCR	0.0374	0.093	0.2156
Schistosoma mansoni	twik family of potassium channels-related	0.0062	0.0081	0.0188
Trypanosoma brucei	telomerase reverse transcriptase	0.0086	0.0148	1
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0049	0.0047	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0569	0.1462	0.4351
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0069	0.0101	0.5102
Plasmodium vivax	von Willebrand factor A domain-related protein, putative	0.0069	0.0101	0.1691
Echinococcus multilocularis	General substrate transporter	0.0089	0.0156	0.0156
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0062	0.0081	0.0232
Echinococcus granulosus	biogenic amine 5HT receptor	0.015	0.0322	0.0322
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Schistosoma mansoni	hypothetical protein	0.1265	0.3356	0.7781
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.1616	0.4313	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Schistosoma mansoni	calcium-activated potassium channel	0.1203	0.3188	0.7392
Plasmodium falciparum	von Willebrand factor A domain-related protein	0.0069	0.0101	0.1691
Brugia malayi	Zona pellucida-like domain containing protein	0.0069	0.0101	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0062	0.0081	0.0312
Schistosoma mansoni	twik family of potassium channels-related	0.0062	0.0081	0.0188
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0062	0.0081	0.546
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0062	0.0081	0.4105
Echinococcus granulosus	potassium channel subfamily K 8	0.0062	0.0081	0.0081
Schistosoma mansoni	nicotinate phosphoribosyltransferase	0.0078	0.0124	0.0288
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0062	0.0081	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Echinococcus multilocularis	rho associated protein kinase	0.0305	0.0742	0.0742
Loa Loa (eye worm)	sugar transporter	0.0104	0.0196	0.0575
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0036	0.0012	0.0012
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0104	0.0196	0.0196
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0062	0.0081	0.0312
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.0196	0.0196
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0086	0.0148	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0062	0.0081	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0053	0.0058	0.0058
Echinococcus granulosus	rho-associated protein kinase 1	0.0305	0.0742	0.0742
Trypanosoma brucei	nicotinate phosphoribosyltransferase, putative	0.0078	0.0124	0.8404
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0315	0.0772	1
Schistosoma mansoni	hypothetical protein	0.0062	0.0081	0.0188
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0045	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0746	0.1944	0.5788
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Onchocerca volvulus		0.0069	0.0101	0.0282
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0086	0.0148	0.579
Echinococcus multilocularis	potassium channel subfamily K 8	0.0062	0.0081	0.0081
Echinococcus granulosus	collagen alpha 1VII chain	0.0069	0.0101	0.0101
Toxoplasma gondii	microneme protein MIC2	0.0069	0.0101	0.1691
Brugia malayi	von Willebrand factor type A domain containing protein	0.0069	0.0101	0.0391
Echinococcus multilocularis	collagen alpha 1(VII) chain	0.0069	0.0101	0.0101
Schistosoma mansoni	glucose transport protein	0.0104	0.0196	0.0455
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0043	0.0031	0.011
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0062	0.0081	0.0312
Schistosoma mansoni	dihydropyridine-sensitive l-type calcium channel	0.0815	0.2131	0.4941
Schistosoma mansoni	calcium-activated potassium channel	0.0062	0.0081	0.0188
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0104	0.0196	0.0196
Echinococcus granulosus	General substrate transporter	0.0089	0.0156	0.0156
Loa Loa (eye worm)	CUTiclin family member	0.0069	0.0101	0.029
Loa Loa (eye worm)	hypothetical protein	0.0634	0.1639	0.4879
Brugia malayi	von Willebrand factor type A domain containing protein	0.0069	0.0101	0.0391
Schistosoma mansoni	serine-rich repeat protein	0.087	0.2283	0.5292
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0062	0.0081	0.546
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Mycobacterium ulcerans	transmembrane cation transporter	0.0062	0.0081	0.5
Loa Loa (eye worm)	von Willebrand factor type A domain-containing protein	0.0069	0.0101	0.029
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Schistosoma mansoni	calcium-activated potassium channel	0.1265	0.3356	0.7781
Echinococcus granulosus	voltage dependent calcium channel subunit	0.1685	0.4501	0.4501
Plasmodium vivax	hexose transporter	0.0104	0.0196	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0062	0.0081	0.546
Mycobacterium tuberculosis	Nicotinic acid phosphoribosyltransferase PncB1	0.0078	0.0124	1
Mycobacterium tuberculosis	Nicotinic acid phosphoribosyltransferase PncB2	0.0078	0.0124	1
Loa Loa (eye worm)	glutamate receptor	0.0043	0.0031	0.0082
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0086	0.0148	1
Schistosoma mansoni	twik family of potassium channels-related	0.0062	0.0081	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Schistosoma mansoni	glucose transport protein	0.0104	0.0196	0.0455
Brugia malayi	Telomerase reverse transcriptase	0.0229	0.0537	0.2147
Brugia malayi	Protein kinase domain containing protein	0.0946	0.2489	1
Schistosoma mansoni	twik family of potassium channels-related	0.0062	0.0081	0.0188
Toxoplasma gondii	RNA-directed DNA polymerase	0.0086	0.0148	0.579
Brugia malayi	von Willebrand factor type A domain containing protein	0.0069	0.0101	0.0391
Onchocerca volvulus		0.0069	0.0101	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0062	0.0081	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Giardia lamblia	Telomerase catalytic subunit	0.0086	0.0148	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.0322	0.095
Echinococcus granulosus	potassium channel subfamily K 8	0.0062	0.0081	0.0081
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.1685	0.4501	0.4501
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Toxoplasma gondii	facilitative glucose transporter GT1	0.0104	0.0196	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.0322	0.095
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0062	0.0081	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0062	0.0081	0.0312
Onchocerca volvulus		0.0305	0.0742	0.9575
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Loa Loa (eye worm)	von Willebrand factor domain-containing protein	0.0069	0.0101	0.029
Loa Loa (eye worm)	hypothetical protein	0.1265	0.3356	1
Trichomonas vaginalis	conserved hypothetical protein	0.0104	0.0196	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0062	0.0081	0.4105
Loa Loa (eye worm)	TWK-7 protein	0.0062	0.0081	0.0232
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0062	0.0081	0.0081
Entamoeba histolytica	elongation factor-2 kinase, putative	0.0069	0.0101	0.4504
Schistosoma mansoni	hypothetical protein	0.0069	0.0101	0.0233
Schistosoma mansoni	calcium-activated potassium channel	0.0062	0.0081	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0062	0.0081	0.0312
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0045	0.0125
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0062	0.0081	0.0312
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Brugia malayi	von Willebrand factor type A domain containing protein	0.0069	0.0101	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0045	0.0125
Echinococcus granulosus	nicotinamide phosphoribosyltransferase	0.0418	0.1051	0.1051
Plasmodium falciparum	circumsporozoite- and TRAP-related protein	0.0069	0.0101	0.1691
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0036	0.0012	0.0012
Brugia malayi	von Willebrand factor type A domain containing protein	0.0069	0.0101	0.0391
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.0196	0.0196
Echinococcus granulosus	potassium channel subfamily K	0.0062	0.0081	0.0081
Schistosoma mansoni	twik family of potassium channels-related	0.0062	0.0081	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Echinococcus multilocularis	voltage dependent calcium channel subunit	0.3705	1	1
Brugia malayi	Sugar transporter family protein	0.0104	0.0196	0.0775
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0069	0.0101	0.0391
Echinococcus granulosus	calcium activated potassium channel variant	0.0062	0.0081	0.0081
Echinococcus multilocularis	twik family of potassium channels	0.0062	0.0081	0.0081
Brugia malayi	hypothetical protein	0.0069	0.0101	0.0391
Entamoeba histolytica	nicotinate phosphoribosyltransferase, putative	0.0078	0.0124	1
Plasmodium falciparum	thrombospondin-related anonymous protein	0.0069	0.0101	0.1691
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Echinococcus multilocularis	nicotinamide phosphoribosyltransferase	0.0418	0.1051	0.1051
Schistosoma mansoni	biogenic amine (5HT) receptor	0.015	0.0322	0.0746
Echinococcus multilocularis	potassium channel subfamily K	0.0062	0.0081	0.0081
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0062	0.0081	0.0312
Toxoplasma gondii	von Willebrand factor type A domain-containing protein	0.0069	0.0101	0.1691
Echinococcus multilocularis	twik family of potassium channels	0.0062	0.0081	0.0081
Schistosoma mansoni	glucose transport protein	0.0104	0.0196	0.0455
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Echinococcus granulosus	twik family of potassium channels	0.0062	0.0081	0.0081
Entamoeba histolytica	hypothetical protein, conserved	0.0069	0.0101	0.4504
Leishmania major	calcium/potassium channel (CAKC), putative	0.0062	0.0081	0.546
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0062	0.0081	0.4105
Loa Loa (eye worm)	uncoordinated protein 58	0.0062	0.0081	0.0232
Entamoeba histolytica	hypothetical protein, conserved	0.0069	0.0101	0.4504
Brugia malayi	Cache domain containing protein	0.0746	0.1944	0.7808
Echinococcus granulosus	small conductance calcium activated potassium	0.1265	0.3356	0.3356
Onchocerca volvulus		0.0069	0.0101	0.0282
Onchocerca volvulus		0.0069	0.0101	0.0282
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0101	0.029
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Schistosoma mansoni	twik family of potassium channels-related	0.0062	0.0081	0.0188
Brugia malayi	Cytochrome P450 family protein	0.0053	0.0057	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0053	0.0058	0.0058
Trypanosoma cruzi	ion transport protein, putative	0.0062	0.0081	0.546
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0062	0.0081	0.0081
Leishmania major	telomerase reverse transcriptase, putative	0.0086	0.0148	1
Leishmania major	ion transport protein-like protein	0.0062	0.0081	0.546
Loa Loa (eye worm)	pre-B cell enhancing factor	0.0418	0.1051	0.3125
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Plasmodium falciparum	nicotinate phosphoribosyltransferase, putative	0.0078	0.0124	0.3755
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0104	0.0196	0.0196
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0062	0.0081	0.0312
Trypanosoma cruzi	nicotinate phosphoribosyltransferase, putative	0.0078	0.0124	0.8404
Mycobacterium ulcerans	ion transport protein	0.0062	0.0081	0.5
Brugia malayi	von Willebrand Factor	0.0069	0.0101	0.0391
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0081	0.0232
Trypanosoma cruzi	hypothetical protein, conserved	0.0062	0.0081	0.546
Trypanosoma cruzi	ion transport protein, putative	0.0062	0.0081	0.546

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 2000 nM	Inhibition of NAMPT (unknown origin) assessed as NAM conversion to NMN preincubated for 15 mins prior to substrate addition measured after 30 mins by mass spectrophotometric analysis	ChEMBL.	23668988
IC50 (functional)	> 2000 nM	Antiproliferative activity against human A2780 cells after 72 hrs by sulforhodamine B assay	ChEMBL.	23668988
IC50 (ADMET)	> 10000 nM	Inhibition of CYP2C9 in human liver microsomes after 30 mins	ChEMBL.	23668988

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	23668988

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: CHEMBL2393193

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1780749