TDR Targets

Basic information

Technical information

TDR Targets ID: 1772191
Name: (4R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b, 9,9,12a-heptamethyl-4-(3-methylbut-2-enoyloxy )-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodec ahydro-1H-picene-4a-carboxylic acid
MW: 552.784 | Formula: C35H52O5
H donors: 1 H acceptors: 4 LogP: 8.03 Rotable bonds: 4
Rule of 5 violations (Lipinski): 2
SMILES: CC(=CC(=O)O[C@@H]1CC(C)(C)C[C@@H]2[C@]1(CC[C@@]1(C2=CC[C@H]2[C@@]1(C)CC[C@@H]1[C@]2(C)CCC(=O)C1(C)C)C)C(=O)O)C
InChi: 1S/C35H52O5/c1-21(2)18-28(37)40-27-20-30(3,4)19-23-22-10-11-25-32(7)14-13-26(36)31(5,6)24(32)12-15-34(25,9)33(22,8)16-17-35(23,27)29(38)39/h10,18,23-25,27H,11-17,19-20H2,1-9H3,(H,38,39)/t23-,24-,25+,27+,32-,33+,34+,35-/m0/s1
InChiKey: VYPAPFHUHDWCBI-QQAPFUPGSA-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

(4R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-4-(3-methyl-1-oxobut-2-enoxy)-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
(4R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-10-keto-2,2,6a,6b,9,9,12a-heptamethyl-4-(3-methylbut-2-enoyloxy)-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0185	0.3857	0.6575
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0036	0.0232	0.0232
Echinococcus multilocularis	protein jagged 1	0.0045	0.0442	0.0754
Onchocerca volvulus	Phospholipase A2 homolog	0.0436	1	1
Echinococcus granulosus	slit 2 protein	0.0045	0.0442	0.0754
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0036	0.0232	0.0232
Echinococcus multilocularis	FTZ F1 alpha	0.0036	0.0232	0.0396
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0045	0.0442	0.0754
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0036	0.0232	0.0396
Brugia malayi	EGF-like domain containing protein	0.0045	0.0442	0.0574
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0054	0.0661	0.0365
Echinococcus multilocularis	notch	0.0045	0.0442	0.0754
Loa Loa (eye worm)	phosphatidylinositol 3	0.003	0.0081	0.0081
Brugia malayi	steroid hormone receptor	0.0036	0.0232	0.0302
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0036	0.0232	0.0302
Loa Loa (eye worm)	phosphatidylinositol 3	0.0164	0.3368	0.3368
Brugia malayi	EGF-like domain containing protein	0.0045	0.0442	0.0574
Schistosoma mansoni	egf-like domain protein	0.0054	0.0661	0.0926
Schistosoma mansoni	hypothetical protein	0.0045	0.0442	0.062
Onchocerca volvulus	Putative cubilin	0.0045	0.0442	0.0215
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0098	0.1746	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0785	0.11
Loa Loa (eye worm)	trypsin family protein	0.0059	0.0785	0.0785
Onchocerca volvulus		0.0045	0.0442	0.0215
Schistosoma mansoni	hypothetical protein	0.0045	0.0442	0.062
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0661	0.0661
Schistosoma mansoni	retinoic acid receptor RXR	0.0036	0.0232	0.0325
Schistosoma mansoni	slit	0.0045	0.0442	0.062
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0098	0.1746	1
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0054	0.0661	0.0365
Schistosoma mansoni	hypothetical protein	0.0045	0.0442	0.062
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0036	0.0232	0.0325
Brugia malayi	Delta serrate ligand family protein	0.0045	0.0442	0.0574
Echinococcus granulosus	Mastin	0.0137	0.269	0.4585
Brugia malayi	Steroid receptor seven-up type 2	0.0036	0.0232	0.0302
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0036	0.0232	0.0396
Schistosoma mansoni	notch	0.0045	0.0452	0.0633
Schistosoma mansoni	notch	0.0045	0.0442	0.062
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0785	0.0785
Echinococcus multilocularis	neurogenic locus protein delta	0.0045	0.0442	0.0754
Loa Loa (eye worm)	hypothetical protein	0.0342	0.7701	0.7701
Schistosoma mansoni	laminin gamma-3 chain	0.0045	0.0442	0.062
Echinococcus multilocularis	laminin	0.0054	0.0661	0.1127
Schistosoma mansoni	notch	0.0045	0.0442	0.062
Schistosoma mansoni	hypothetical protein	0.0045	0.0442	0.062
Schistosoma mansoni	hypothetical protein	0.0045	0.0442	0.062
Brugia malayi	Cadherin domain containing protein	0.0045	0.0442	0.0574
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0118	0.2224	0.3791
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Echinococcus multilocularis	protein jagged 2	0.0045	0.0442	0.0754
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0232	0.0232
Echinococcus multilocularis	slit 2 protein	0.0045	0.0442	0.0754
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0785	0.11
Onchocerca volvulus		0.0059	0.0785	0.0566
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0036	0.0232	0.0325
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0785	0.0785
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0785	0.1338
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0036	0.0232	0.0232
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0098	0.1746	0.2268
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0098	0.1746	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0036	0.0232	0.0302
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0054	0.0661	0.0926
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0036	0.0232	0.0302
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0036	0.0232	0.0232
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0045	0.0442	0.0215
Echinococcus multilocularis	neurogenic locus notch protein	0.0045	0.0442	0.0754
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0059	0.0785	0.1338
Echinococcus multilocularis	Tolloid protein 1	0.0054	0.0661	0.1127
Onchocerca volvulus	Arrow homolog	0.0054	0.0661	0.0439
Loa Loa (eye worm)	Notch2	0.0045	0.0442	0.0442
Brugia malayi	Cadherin domain containing protein	0.0045	0.0442	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0319	0.7137	0.7137
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0785	0.0785
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0036	0.0232	0.0396
Echinococcus granulosus	neurogenic locus notch protein	0.0045	0.0442	0.0754
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0064	0.0902	0.1538
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0267	0.5867	1
Brugia malayi	EGF-like domain containing protein	0.0045	0.0442	0.0574
Brugia malayi	EGF-like domain containing protein	0.0045	0.0442	0.0574
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0785	0.11
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Toxoplasma gondii	PAN domain-containing protein	0.029	0.6441	1
Schistosoma mansoni	lipoxygenase	0.0118	0.2224	0.3116
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Echinococcus granulosus	enteropeptidase	0.0137	0.269	0.4585
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0036	0.0232	0.0302
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0036	0.0232	0.0325
Echinococcus granulosus	neurogenic locus notch protein 4	0.0045	0.0442	0.0754
Echinococcus multilocularis	neural cadherin	0.0045	0.0442	0.0754
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0054	0.0661	0.0661
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0785	0.11
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0661	0.0661
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0036	0.0232	0.0396
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0098	0.1746	1
Onchocerca volvulus	Phospholipase A2 homolog	0.0092	0.1592	0.1392
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Echinococcus granulosus	FTZ F1 alpha	0.0036	0.0232	0.0396
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0785	0.11
Schistosoma mansoni	cell polarity protein	0.0045	0.0442	0.062
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0033	0.0152	0.5
Brugia malayi	Muscle positioning protein 4	0.0045	0.0442	0.0574
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0036	0.0232	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0785	0.11
Schistosoma mansoni	hypothetical protein	0.0045	0.0442	0.062
Schistosoma mansoni	coup transcription factor	0.0036	0.0232	0.0325
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0064	0.0902	0.1171
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0118	0.2224	0.3791
Onchocerca volvulus		0.0045	0.0442	0.0215
Brugia malayi	ecdysteroid receptor	0.0342	0.7701	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0036	0.0232	0.0396
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0059	0.0785	0.1019
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0036	0.0232	0.0302
Loa Loa (eye worm)	steroid hormone receptor	0.0036	0.0232	0.0232
Brugia malayi	Fibulin-1 precursor	0.0054	0.0661	0.0859
Schistosoma mansoni	hypothetical protein	0.0059	0.0785	0.11
Schistosoma mansoni	lipoxygenase	0.0082	0.1359	0.1904
Onchocerca volvulus		0.0059	0.0785	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0232	0.0232
Brugia malayi	Calcium binding EGF domain containing protein	0.0045	0.0442	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0319	0.7137	0.7137
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0785	0.11
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0059	0.0785	0.1338
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0044	0.0413	0.1637
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Brugia malayi	Trypsin-like protease protein 5	0.0059	0.0785	0.1019
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0036	0.0232	0.0232
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0067	0.0996	0.5294
Onchocerca volvulus		0.0045	0.0442	0.0215
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0036	0.0232	0.0396
Echinococcus granulosus	delta-like protein 1	0.0045	0.0442	0.0754
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0036	0.0232	0.0302
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0785	0.11
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0137	0.269	0.3769
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0036	0.0232	0.0325
Schistosoma mansoni	notch	0.0045	0.0442	0.062
Schistosoma mansoni	RAR-like nuclear receptor	0.0036	0.0232	0.0325
Brugia malayi	Trypsin family protein	0.0059	0.0785	0.1019
Schistosoma mansoni	septate junction protein	0.0045	0.0442	0.062
Echinococcus granulosus	protein jagged 1	0.0045	0.0442	0.0754
Echinococcus granulosus	laminin	0.0054	0.0661	0.1127
Onchocerca volvulus		0.026	0.5702	0.56
Brugia malayi	EGF-like domain containing protein	0.0045	0.0442	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0036	0.0232	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0064	0.0902	0.1538
Echinococcus multilocularis	neurogenic locus protein delta	0.0045	0.0442	0.0754
Echinococcus granulosus	protein jagged 1	0.0045	0.0442	0.0754
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0319	0.7137	1
Echinococcus granulosus	glycoprotein Antigen 5	0.0137	0.269	0.4585
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0036	0.0232	0.0396
Schistosoma mansoni	hypothetical protein	0.0059	0.0785	0.11
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0036	0.0232	0.0302
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0098	0.1746	1
Onchocerca volvulus		0.0045	0.0442	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0661	0.0661
Brugia malayi	nuclear receptor NHR-88	0.0036	0.0232	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0902	0.0902
Onchocerca volvulus	Slit protein homolog	0.0045	0.0442	0.0215
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0036	0.0232	0.0325
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0036	0.0232	0.0302
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0045	0.0442	0.0574
Loa Loa (eye worm)	hypothetical protein	0.0092	0.1592	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Echinococcus granulosus	protein jagged 2	0.0045	0.0442	0.0754
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0785	0.0785
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0036	0.0232	0.0302
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Brugia malayi	Calcium binding EGF domain containing protein	0.0045	0.0442	0.0574
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0045	0.0442	0.0754
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0047	0.0506	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0036	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0232	0.0232
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0054	0.0661	0.0661
Onchocerca volvulus		0.0059	0.0785	0.0566
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0059	0.0785	0.11
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0036	0.0232	0.0396
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0059	0.0785	0.11
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0785	0.11
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0054	0.0661	0.0859
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0033	0.0152	0.0212
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0194	0.0194
Schistosoma mansoni	notch	0.0045	0.0442	0.062
Onchocerca volvulus		0.021	0.4492	0.4361
Brugia malayi	Phospholipase A2 family protein	0.0092	0.1592	0.2067
Echinococcus multilocularis	protein jagged 1	0.0045	0.0442	0.0754
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Echinococcus multilocularis	ecdysone induced protein 78C	0.0036	0.0232	0.0396
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0785	0.11
Brugia malayi	Nuclear hormone receptor-like 1	0.0036	0.0232	0.0302
Toxoplasma gondii	PAN domain-containing protein	0.029	0.6441	1
Onchocerca volvulus	Neurogenic locus notch homolog	0.0045	0.0452	0.0225
Echinococcus granulosus	neurogenic locus notch protein	0.0045	0.0442	0.0754
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0086	0.1461	0.1897
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0319	0.7137	1
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0185	0.3857	0.6575
Echinococcus granulosus	protein jagged 2	0.0045	0.0442	0.0754
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0098	0.1746	1
Brugia malayi	EGF-like domain containing protein	0.0045	0.0442	0.0574
Brugia malayi	EGF-like domain containing protein	0.0045	0.0442	0.0574
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0045	0.0442	0.062
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0232	0.0232
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0036	0.0232	0.0325
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0036	0.0232	0.0396
Echinococcus multilocularis	transmembrane protease serine 3	0.0059	0.0785	0.1338
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0059	0.0785	0.1338
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0036	0.0232	0.0396
Echinococcus multilocularis	fibropellin Ia	0.0045	0.0442	0.0754
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0036	0.0232	0.0302
Brugia malayi	Calcium binding EGF domain containing protein	0.0054	0.0661	0.0859
Schistosoma mansoni	hypothetical protein	0.0045	0.0442	0.062
Echinococcus multilocularis	enteropeptidase	0.0137	0.269	0.4585
Echinococcus granulosus	transmembrane protease serine 3	0.0059	0.0785	0.1338
Schistosoma mansoni	notch	0.0045	0.0442	0.062
Mycobacterium ulcerans	hypothetical protein	0.0059	0.0785	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Brugia malayi	hypothetical protein	0.0059	0.0785	0.1019
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0033	0.0152	0.0197
Brugia malayi	Trypsin family protein	0.0059	0.0785	0.1019
Echinococcus multilocularis	fibrillin 1	0.0054	0.0661	0.1127
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0232	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Brugia malayi	photoreceptor-specific nuclear receptor	0.0036	0.0232	0.0302
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0054	0.0661	0.0661
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0661	0.0661
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0036	0.0232	0.0396
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0033	0.0152	0.0426
Brugia malayi	Calcium binding EGF domain containing protein	0.0045	0.0442	0.0574
Loa Loa (eye worm)	notch protein	0.0045	0.0442	0.0442
Brugia malayi	GCC2 and GCC3 family protein	0.0045	0.0442	0.0574
Echinococcus granulosus	fibropellin Ia	0.0045	0.0442	0.0754
Brugia malayi	Trypsin family protein	0.0319	0.7137	0.9268
Onchocerca volvulus		0.0059	0.0785	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Entamoeba histolytica	hypothetical protein	0.0078	0.1257	0.6931
Onchocerca volvulus		0.0319	0.7137	0.7069
Schistosoma mansoni	nuclear hormone receptor	0.0036	0.0232	0.0325
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0036	0.0232	0.0325
Schistosoma mansoni	thyroid hormone receptor	0.0036	0.0232	0.0325
Brugia malayi	nuclear hormone receptor	0.0036	0.0232	0.0302
Brugia malayi	Trypsin family protein	0.0059	0.0785	0.1019
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0661	0.0661
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0078	0.1257	0.6931
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0785	0.11
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0036	0.0232	0.0302
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0095	0.1675	0.9555
Onchocerca volvulus		0.0059	0.0785	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Echinococcus granulosus	notch	0.0045	0.0442	0.0754
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0267	0.5867	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0442	0.0442
Echinococcus multilocularis	Mastin	0.0137	0.269	0.4585
Echinococcus granulosus	Tolloid protein 1	0.0054	0.0661	0.1127
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0232	0.0232
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0036	0.0232	0.0396
Echinococcus granulosus	ecdysone induced protein 78C	0.0036	0.0232	0.0396
Schistosoma mansoni	thyroid hormone receptor	0.0036	0.0232	0.0325
Onchocerca volvulus		0.0045	0.0442	0.0215
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0036	0.0232	0.0302
Echinococcus multilocularis	glycoprotein Antigen 5	0.0137	0.269	0.4585
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0785	0.11
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0036	0.0232	0.0232
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0185	0.3857	0.5404
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0785	0.11
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0067	0.0996	0.5294
Echinococcus granulosus	neural cadherin	0.0045	0.0442	0.0754
Echinococcus multilocularis	neurogenic locus notch protein	0.0045	0.0442	0.0754
Brugia malayi	notch-like transmembrane receptor	0.0045	0.0442	0.0574
Schistosoma mansoni	cercarial elastase (S01 family)	0.0059	0.0785	0.11
Echinococcus granulosus	neurogenic locus protein delta	0.0045	0.0442	0.0754
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0036	0.0232	0.0302
Onchocerca volvulus	Bile acid receptor homolog	0.0342	0.7701	0.7646
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0785	0.0785

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (ADMET)	< 5 %	Cytotoxicity against human A549 cells transfected with NF-kappaB assessed as reduction of cell viability relative to control	ChEMBL.	24457265
IC50 (functional)	= 1.19 uM	Cytotoxicity against human A549 cells after 48 hrs by MTT assay	ChEMBL.	25027934
IC50 (binding)	= 1.56 uM	Inhibition of TNFalpha-induced NF-kappaB activation in human A549 cells after 7 hrs by luciferase reporter gene assay	ChEMBL.	25027934
IC50 (functional)	= 1.19 umol	Cytotoxicity against human A549 cells after 48 hrs by MTT assay	ChEMBL.	24457265
LC50 (functional)	< 4	Growth inhibition of human MDA-MB-468 cells by sulforhodamine B assay	ChEMBL.	23644211

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	24457265

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: CHEMBL2413418

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1772191