TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 556.584 | Formula: C31H29FN4O5
H donors: 3 H acceptors: 2 LogP: 5.85 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: COc1cc(cc(c1OC)OC)C(=O)NC(=N)Nc1ccc(c(c1)NC(=O)c1ccc(cc1)c1ccc(cc1)F)C
InChi: 1S/C31H29FN4O5/c1-18-5-14-24(34-31(33)36-30(38)22-15-26(39-2)28(41-4)27(16-22)40-3)17-25(18)35-29(37)21-8-6-19(7-9-21)20-10-12-23(32)13-11-20/h5-17H,1-4H3,(H,35,37)(H3,33,34,36,38)
InChiKey: PMXQIKHOHRARGZ-UHFFFAOYSA-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	smoothened, frizzled class receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	smoothened	Get druggable targets OG5_134998	All targets in OG5_134998
Echinococcus multilocularis	smoothened	Get druggable targets OG5_134998	All targets in OG5_134998
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_134998	All targets in OG5_134998

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
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0033	0.0037	0.0108
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0095	0.0605	0.6281
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0405	0.3417	1
Loa Loa (eye worm)	glutathione reductase	0.0037	0.0073	0.016
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0153	0.1129	0.323
Schistosoma mansoni	hypothetical protein	0.0035	0.0054	0.003
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0132	0.0941	0.2676
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0033	0.0037	0.0108
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0095	0.0605	0.1681
Loa Loa (eye worm)	hypothetical protein	0.0192	0.148	0.3231
Brugia malayi	glutathione reductase	0.0037	0.0073	0.0108
Entamoeba histolytica	hypothetical protein	0.0035	0.0054	0.0052
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0276	0.024
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0062	0.0298	0.0773
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0094	0.059	0.1638
Loa Loa (eye worm)	phosphatidylinositol 3	0.0033	0.0037	0.008
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0094	0.059	1
Echinococcus multilocularis	smoothened	0.041	0.3463	0.3439
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0405	0.3417	1
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0033	0.0037	0.0108
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Leishmania major	hypothetical protein, conserved	0.0422	0.3569	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0037	0.0078	0.0041
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0095	0.0605	0.6281
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0276	0.0412
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0094	0.059	0.1728
Echinococcus multilocularis	lysine specific demethylase 5A	0.0057	0.0259	0.0223
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0033	0.0037	0.0108
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0037	0.0108
Echinococcus granulosus	smoothened	0.041	0.3463	0.3439
Loa Loa (eye worm)	hypothetical protein	0.0402	0.3386	0.7393
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0057	0.0259	0.0223
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0095	0.0605	0.1609
Plasmodium falciparum	thioredoxin reductase	0.0037	0.0073	0.0661
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0094	0.059	0.1728
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0094	0.059	0.1728
Brugia malayi	hypothetical protein	0.0035	0.0054	0.0052
Toxoplasma gondii	FATC domain-containing protein	0.0062	0.0298	0.4601
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.0298	0.0873
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.0073	0.0664
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0071	0.0388	0.1409
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0276	0.0677
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0405	0.3417	1
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0307	0.2528	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0062	0.0298	0.289
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0095	0.0605	0.1681
Mycobacterium tuberculosis	Probable dehydrogenase	0.0084	0.0502	0.8453
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0062	0.0298	0.0262
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0132	0.0941	0.2755
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0167	0.1252	0.3596
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0054	0.003
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0095	0.0605	0.1681
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0057	0.0259	0.0223
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0192	0.148	0.4268
Loa Loa (eye worm)	phosphatidylinositol 3	0.0033	0.0037	0.008
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0276	0.5
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0095	0.0605	0.177
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0095	0.0605	0.057
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0405	0.3417	1
Echinococcus granulosus	serine protein kinase ATM	0.0062	0.0298	0.0262
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0084	0.0502	0.8453
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.0298	0.0873
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0084	0.0502	0.8453
Schistosoma mansoni	microtubule-associated protein tau	0.0672	0.5846	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0062	0.0298	0.0873
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0037	0.008
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0276	0.4209
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0094	0.059	0.0953
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0095	0.0605	0.177
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.0298	0.0873
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0095	0.0605	0.6281
Loa Loa (eye worm)	phosphatidylinositol 3	0.0533	0.458	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0057	0.0259	0.0383
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0276	0.024
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0095	0.0605	0.177
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.0073	0.0661
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0033	0.0037	0.0108
Loa Loa (eye worm)	phosphatidylinositol 3	0.01	0.0643	0.1404
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.0073	0.016
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0346	0.2879	0.8425
Brugia malayi	jmjC domain containing protein	0.0057	0.0259	0.0658
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Leishmania major	trypanothione reductase	0.0037	0.0073	0.0104
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0037	0.0078	0.0041
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Loa Loa (eye worm)	phosphatidylinositol 3	0.0095	0.0605	0.1321
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.0298	0.0873
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0033	0.0037	0.0108
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0192	0.148	0.1448
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0095	0.0605	0.6281
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0094	0.059	0.9744
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0067	0.0344	0.5399
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0094	0.059	0.0556
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0033	0.0037	0.0108
Onchocerca volvulus		0.0033	0.0037	0.5
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0094	0.059	1
Toxoplasma gondii	thioredoxin reductase	0.0037	0.0073	0.0644
Schistosoma mansoni	hypothetical protein	0.0034	0.0045	0.0015
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0094	0.059	0.1638
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.0073	0.0215
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0372	0.3119	0.9118
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0095	0.0605	0.6281
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.01	0.0643	0.1882
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0298	0.0651
Mycobacterium tuberculosis	Probable reductase	0.0084	0.0502	0.8453
Entamoeba histolytica	hypothetical protein	0.0035	0.0054	0.0052
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0276	0.0412
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0062	0.0298	0.0262
Giardia lamblia	GTOR	0.0095	0.0605	0.2281
Loa Loa (eye worm)	hypothetical protein	0.0213	0.1676	0.366
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0132	0.0941	0.2755
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0095	0.0605	0.1609
Trichomonas vaginalis	conserved hypothetical protein	0.0067	0.0344	0.1005
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0572	0.4931	0.4913
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.0298	0.0873
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0093	0.0587	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.0298	0.0873
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Entamoeba histolytica	hypothetical protein	0.0366	0.3066	0.8962
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.0298	0.0873
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0094	0.059	0.612
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0276	0.5
Echinococcus multilocularis	Zinc finger, PHD finger	0.0094	0.059	0.0556
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0572	0.4931	0.4913
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0344	0.075
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0095	0.0605	0.057
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0067	0.0344	0.3391
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0405	0.3417	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0033	0.0037	0.008
Plasmodium vivax	glutathione reductase, putative	0.0037	0.0073	0.0661
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0062	0.0298	0.0873
Entamoeba histolytica	protein kinase rad3, putative	0.0062	0.0298	0.0773
Echinococcus granulosus	microtubule associated protein 2	0.0672	0.5846	0.583
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0084	0.0502	0.8453
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0095	0.0605	0.0978
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0093	0.0587	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0572	0.4931	0.8426
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0276	0.5
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0062	0.0298	0.0773
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0034	0.0045	0.0009
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0094	0.059	0.1638
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0132	0.0941	0.1557
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Trypanosoma cruzi	target of rapamycin kinase 3	0.0095	0.0605	0.177
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0034	0.0045	0.0009
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0095	0.0605	0.057
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0094	0.059	0.1289
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0062	0.0298	0.045
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0132	0.0941	1
Plasmodium falciparum	glutathione reductase	0.0037	0.0073	0.0661
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0033	0.0037	0.008
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0062	0.0298	0.045
Loa Loa (eye worm)	phosphatidylinositol 3	0.0095	0.0605	0.1321
Loa Loa (eye worm)	jmjC domain-containing protein	0.0057	0.0259	0.0566
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0094	0.059	0.0556
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0095	0.0605	0.1609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Echinococcus multilocularis	microtubule associated protein 2	0.0672	0.5846	0.583
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0095	0.0605	0.1681
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0062	0.0298	0.0773
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0346	0.2879	0.8425
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0057	0.0259	0.0383
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Brugia malayi	FAT domain containing protein	0.0034	0.0045	0.0025
Onchocerca volvulus		0.0033	0.0037	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0132	0.0941	0.2676
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0095	0.0605	0.057
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0093	0.0587	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0405	0.3417	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0084	0.0502	0.8453
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0094	0.059	0.0953
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0045	0.0133
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0094	0.059	0.9744
Echinococcus multilocularis	serine protein kinase ATM	0.0062	0.0298	0.0262
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Entamoeba histolytica	hypothetical protein	0.0035	0.0054	0.0052
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.113	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0062	0.0298	0.0873
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0095	0.0605	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0132	0.0941	0.2755
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0095	0.0605	0.177
Entamoeba histolytica	hypothetical protein	0.0062	0.0298	0.0773
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0094	0.059	0.0556
Trypanosoma cruzi	hypothetical protein, conserved	0.0389	0.3271	0.957
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0084	0.0502	0.8453
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0045	0.0099
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0276	0.4343
Brugia malayi	Thioredoxin reductase	0.0037	0.0073	0.0108
Loa Loa (eye worm)	phosphatidylinositol 3	0.0033	0.0037	0.008
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0132	0.0941	0.2676
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0054	0.0018
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0095	0.0605	0.0978
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0094	0.059	0.1567
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0037	0.0108
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0095	0.0605	0.1609
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0094	0.059	0.1728
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0132	0.0941	0.2755
Trypanosoma brucei	trypanothione reductase	0.0037	0.0073	0.0404
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0067	0.0344	0.1005
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0094	0.059	0.1728
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0192	0.148	0.1448
Entamoeba histolytica	hypothetical protein	0.0035	0.0054	0.0052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0037	0.0108
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0405	0.3417	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0095	0.0605	0.177
Schistosoma mansoni	jumonji domain containing protein	0.0057	0.0259	0.0383
Echinococcus granulosus	lysine specific demethylase 5A	0.0057	0.0259	0.0223
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0095	0.0605	0.1609
Mycobacterium tuberculosis	Probable oxidoreductase	0.0093	0.0587	1
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0094	0.059	0.1567
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0366	0.3066	0.8962
Brugia malayi	jmjC domain containing protein	0.0057	0.0259	0.0658
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0054	0.0018

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.014 uM	Inhibition of Smo-mediated Hh signaling in human Shh-light2 cells by luciferase reporter gene assay	ChEMBL.	22268551

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: CHEMBL2031288

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 1652040