TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 310.344 | Formula: C19H18O4
H donors: 2 H acceptors: 3 LogP: 3.23 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: C[C@@H](C[C@@H](c1c(O)oc2c(c1=O)cccc2)c1ccccc1)O
InChi: 1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20,22H,11H2,1H3/t12-,15+/m0/s1
InChiKey: ITRHMRDQFXQTDH-SWLSCSKDSA-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	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
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

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
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0058	0.0227	0.0227
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0058	0.0227	0.0196
Loa Loa (eye worm)	cytochrome P450 family protein	0.0073	0.039	0.036
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0905	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0113	0.0855	0.0855
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0058	0.0227	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0855	0.0826
Brugia malayi	Serotonin receptor	0.0484	0.514	0.5124
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0673	0.7323	0.7323
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0058	0.0227	0.0196
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.023	0.2213	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.054	0.5795	0.5795
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0673	0.7323	0.7323
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0058	0.0227	0.0196
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0058	0.0227	0.0227
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0488	0.5185	0.5185
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0058	0.0227	0.0227
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0673	0.7323	0.7323
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.072	0.7871	0.7822
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0905	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0303	0.3056	0.3056
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.0227	0.0196
Trichomonas vaginalis	conserved hypothetical protein	0.0191	0.1755	0.1755
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.023	0.2213	0.2188
Loa Loa (eye worm)	FKBP5 protein	0.023	0.2213	0.2188
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.0227	0.0196
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0171	0.1529	0.1529
Brugia malayi	Cytochrome P450 family protein	0.0047	0.0095	0.0064
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0058	0.0227	0.0196
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0171	0.1529	0.1332
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0171	0.1529	0.1332
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0058	0.0227	0.0196
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0905	1	1
Giardia lamblia	GTOR	0.0905	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0905	1	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0303	0.3056	0.2895
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.023	0.2213	0.2188
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0227	0.0227
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0058	0.0227	0.0153
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0171	0.1529	0.1502
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0058	0.0227	0.0227
Echinococcus multilocularis	fk506 binding protein	0.023	0.2213	0.2188
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.023	0.2213	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.072	0.7871	0.7822
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0058	0.0227	0.0227
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0607	0.6561	0.6561
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0673	0.7323	0.7323
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0227	0.0196
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.023	0.2213	1
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0673	0.7323	1
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0058	0.0227	0.0196
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0058	0.0227	0.0196
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0058	0.0227	0.0196
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0673	0.7323	0.7323
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.023	0.2213	0.2032
Schistosoma mansoni	immunophilin	0.0199	0.1847	0.1785
Loa Loa (eye worm)	cytochrome P450 family protein	0.0073	0.039	0.036
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.023	0.2213	0.2032
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0171	0.1529	0.1502
Loa Loa (eye worm)	hypothetical protein	0.0191	0.1755	0.1729
Entamoeba histolytica	hypothetical protein	0.0171	0.1529	0.1332
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.0227	0.0196
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0488	0.5194	0.5194
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.0227	0.0196
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0905	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0058	0.0227	0.5
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0058	0.0227	0.0227
Trichomonas vaginalis	immunophilin, putative	0.023	0.2213	0.2213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0488	0.5185	0.5185
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0719	0.7862	0.7862
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0058	0.0227	0.0153
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0303	0.3056	0.3056
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0058	0.0227	0.0227
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0227	0.0196
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0058	0.0227	0.0227
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.023	0.2213	0.2032
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0303	0.3056	0.3035
Schistosoma mansoni	immunophilin	0.023	0.2213	0.2154
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0132	0.1081	0.1052
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0227	0.0196
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0905	1	1
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0058	0.0227	0.0196
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0488	0.5194	0.5194
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0171	0.1529	0.1529
Echinococcus multilocularis	Zinc finger, PHD finger	0.0058	0.0227	0.0196
Leishmania major	peptidylprolyl isomerase-like protein	0.023	0.2213	0.2032
Onchocerca volvulus		0.0058	0.0227	0.5
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.023	0.2213	0.2032
Loa Loa (eye worm)	phosphatidylinositol 3	0.0303	0.3056	0.3035
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0058	0.0227	0.0196
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.023	0.2213	0.2032
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0905	1	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0303	0.3056	0.3035
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0113	0.0855	0.0642
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0058	0.0227	0.5
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0199	0.1847	0.1821
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0587	0.6335	0.6335
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.023	0.2213	0.2213
Echinococcus multilocularis		0.0058	0.0227	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0227	0.0196
Schistosoma mansoni	immunophilin	0.023	0.2213	0.2154
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0303	0.3056	0.3056
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0171	0.1529	0.1464
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0058	0.0227	0.0196
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0303	0.3056	0.2895
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0227	0.0196
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0535	0.5733	0.5733
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0905	1	1
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0132	0.1081	0.1052
Echinococcus multilocularis	serine protein kinase ATM	0.0171	0.1529	0.1502
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0303	0.3056	0.3056
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.023	0.2213	0.2032
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0905	1	1
Leishmania major	cytochrome p450-like protein	0.0073	0.039	0.0167
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0488	0.5194	0.5194
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0719	0.7862	0.7862
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0058	0.0227	0.0227
Loa Loa (eye worm)	hypothetical protein	0.0171	0.1529	0.1502
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0171	0.1529	0.1332
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0058	0.0227	0.0196
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0905	1	1
Loa Loa (eye worm)	CYP4Cod1	0.0073	0.039	0.036
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0855	0.0855
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0303	0.3056	0.3004
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0772	0.8472	0.8472
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0058	0.0227	0.0227
Brugia malayi	Cytochrome P450 family protein	0.0073	0.039	0.036
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0058	0.0227	0.0153
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0303	0.3056	0.2895
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0058	0.0227	0.0227
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.023	0.2213	0.2188
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0058	0.0227	0.0153
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0488	0.5185	0.5185
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0719	0.7862	0.7862
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0058	0.0227	0.0196
Trichomonas vaginalis	conserved hypothetical protein	0.0132	0.1081	0.1081
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.023	0.2213	0.2188
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0058	0.0227	0.0227
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.023	0.2213	0.5
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0058	0.0227	0.0153
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.023	0.2213	0.2032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0673	0.7323	0.7323
Loa Loa (eye worm)	hypothetical protein	0.0199	0.1847	0.1821
Echinococcus granulosus	tm gpcr rhodopsin	0.0522	0.5583	0.5569
Onchocerca volvulus		0.0058	0.0227	0.5
Schistosoma mansoni	hypothetical protein	0.0132	0.1081	0.1013
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0905	1	1
Brugia malayi	Cytochrome P450 family protein	0.0073	0.039	0.036
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.023	0.2213	0.2213
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0058	0.0227	0.0153
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0522	0.5583	0.5569
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0191	0.1755	0.2153
Trypanosoma brucei	cytochrome P450, putative	0.0073	0.039	0.0167
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0905	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0114	0.0083
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0673	0.7323	0.7323
Toxoplasma gondii	FATC domain-containing protein	0.0171	0.1529	0.1835
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0058	0.0227	0.0227
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.023	0.2213	0.2032
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0227	0.0196
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1682	0.1656
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0171	0.1529	0.1502
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.023	0.2213	0.2188
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0227	0.0196
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0058	0.0227	0.0227
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0719	0.7862	0.7862
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.023	0.2213	0.2188
Trichomonas vaginalis	PIKK family atypical protein kinase	0.054	0.5795	0.5795
Trypanosoma cruzi	cytochrome P450, putative	0.0073	0.039	0.0167
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0058	0.0227	0.0196
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.023	0.2213	0.2154
Trypanosoma cruzi	target of rapamycin kinase 3	0.072	0.7871	0.7822
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0171	0.1529	0.1529
Loa Loa (eye worm)	hypothetical protein	0.0132	0.1081	0.1052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0535	0.5733	0.5733
Schistosoma mansoni	hypothetical protein	0.0058	0.0227	0.0153
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0058	0.0227	0.0196
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0488	0.5194	0.5194
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0199	0.1847	0.1821
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0171	0.1529	0.1502
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0428	0.4494	0.4366
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0303	0.3056	0.2895
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0303	0.3056	0.3056
Trichomonas vaginalis	PIKK family atypical protein kinase	0.054	0.5795	0.5795
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.023	0.2213	0.2032
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0171	0.1529	0.1332
Brugia malayi	FAT domain containing protein	0.0132	0.1081	0.1052
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0905	1	1
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0171	0.1529	0.1464
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0058	0.0227	0.0196
Entamoeba histolytica	protein kinase rad3, putative	0.0171	0.1529	0.1332
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0905	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0047	0.0095	0.0064
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0243	0.2356	0.2356
Echinococcus granulosus	serine protein kinase ATM	0.0171	0.1529	0.1502
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0058	0.0227	0.0196
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0303	0.3056	0.2895
Trypanosoma cruzi	cytochrome P450, putative	0.0073	0.039	0.0167
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.023	0.2213	0.2032
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0376	0.3892	0.375
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0303	0.3056	0.3035
Loa Loa (eye worm)	phosphatidylinositol 3	0.0905	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0719	0.7862	0.7862
Leishmania major	fk506-binding protein 1-like protein	0.023	0.2213	0.2032
Loa Loa (eye worm)	phosphatidylinositol 3	0.0058	0.0227	0.0196
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0303	0.3056	0.2895
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0058	0.0227	0.0153
Trichomonas vaginalis	fk506-binding protein, putative	0.023	0.2213	0.2213

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (ADMET)	= 0.4 uM	Binding affinity was measured on Cytochrome P450 2C9	ChEMBL.	10956186

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: CHEMBL2114286

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 939597