TDR Targets

Basic information

Technical information

TDR Targets ID: 1221258
Name: [(1S,4aR,10aR)-6-methoxy-1,4a-dimethyl-2,3,4, 9,10,10a-hexahydrophenanthren-1-yl]methanol
MW: 274.398 | Formula: C18H26O2
H donors: 1 H acceptors: 1 LogP: 4.51 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@@]1(C)CCC[C@@]2([C@H]1CCc1c2cc(cc1)OC)C
InChi: 1S/C18H26O2/c1-17(12-19)9-4-10-18(2)15-11-14(20-3)7-5-13(15)6-8-16(17)18/h5,7,11,16,19H,4,6,8-10,12H2,1-3H3/t16-,17+,18-/m0/s1
InChiKey: HMPJUDGZKICNFY-KSZLIROESA-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

TNP00220
NCGC00017297-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references

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
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus granulosus	neuropeptide FF receptor 2	0.0015	0.006	0.0072
Brugia malayi	hypothetical protein	0.0015	0.006	0.0058
Echinococcus multilocularis	neuropeptide receptor A26	0.0015	0.006	0.0072
Echinococcus multilocularis	sex peptide receptor	0.0015	0.006	0.0072
Echinococcus granulosus	7TM GPCR rhodopsin	0.0015	0.006	0.0072
Brugia malayi	hypothetical protein	0.0015	0.006	0.0058
Echinococcus granulosus	PHD finger protein rhinoceros	0.0028	0.0227	0.0274
Brugia malayi	hypothetical protein	0.0015	0.006	0.0058
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0015	0.006	0.0058
Echinococcus multilocularis	dnaJ subfamily B	0.0396	0.4987	0.6013
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0227	0.0318
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Brugia malayi	neuropeptide F receptor	0.0015	0.006	0.0058
Brugia malayi	hypothetical protein	0.0015	0.006	0.0058
Echinococcus multilocularis	carbonic anhydrase	0.0243	0.3005	0.3624
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0324	0.0321
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Brugia malayi	Cytochrome P450 family protein	0.0021	0.0135	0.0134
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0015	0.006	0.0072
Echinococcus multilocularis	orexin receptor type 2	0.0015	0.006	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0243	0.3005	0.3004
Loa Loa (eye worm)	G-protein coupled receptor	0.0015	0.006	0.0058
Brugia malayi	G protein-coupled receptor	0.0015	0.006	0.0058
Leishmania major	C-8 sterol isomerase-like protein	0.0784	1	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3592	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0015	0.006	0.0072
Echinococcus granulosus	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus granulosus	indoleamine 23 dioxygenase 2	0.0652	0.8293	1
Schistosoma mansoni	carbonic anhydrase-related	0.0243	0.3005	0.3577
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0015	0.006	0.0072
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0.0272	0.0139
Echinococcus multilocularis	serotonin receptor	0.0015	0.006	0.0072
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0221	0.022
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0015	0.006	0.0058
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0015	0.006	0.0072
Brugia malayi	AKH receptor	0.0015	0.006	0.0058
Loa Loa (eye worm)	TYRA-2 protein	0.0015	0.006	0.0058
Echinococcus multilocularis	fmrfamide receptor	0.0015	0.006	0.0072
Echinococcus granulosus	carbonic anhydrase II	0.0517	0.6553	0.7902
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0092	0.1058	0.1276
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0015	0.006	0.0058
Brugia malayi	Serotonin receptor	0.0015	0.006	0.0058
Brugia malayi	Serotonin receptor	0.0015	0.006	0.0058
Brugia malayi	hypothetical protein	0.0015	0.006	0.0058
Brugia malayi	G-protein coupled receptor	0.0015	0.006	0.0058
Trypanosoma cruzi	cytochrome P450, putative	0.0032	0.0272	0.0139
Echinococcus granulosus	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Brugia malayi	ORL1-like opioid receptor	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0488	0.0486
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0625	0.0686
Schistosoma mansoni	carbonic anhydrase	0.0243	0.3005	0.3577
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0015	0.006	0.0072
Brugia malayi	Dopamine receptor	0.0015	0.006	0.0058
Onchocerca volvulus	Alhambra homolog	0.0028	0.0227	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0015	0.006	0.0072
Echinococcus multilocularis	g protein coupled receptor	0.0015	0.006	0.0072
Echinococcus multilocularis	serotonin receptor	0.0015	0.006	0.0072
Brugia malayi	hypothetical protein	0.0015	0.006	0.0058
Brugia malayi	Bromodomain containing protein	0.0028	0.0227	0.0225
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0517	0.6553	0.6553
Echinococcus granulosus	carbonic anhydrase	0.0243	0.3005	0.3624
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0015	0.006	0.0072
Brugia malayi	putative neuropeptide receptor NPR1	0.0015	0.006	0.0058
Brugia malayi	neuropeptide F receptor	0.0015	0.006	0.0058
Echinococcus granulosus	biogenic amine 5HT receptor	0.0015	0.006	0.0072
Echinococcus multilocularis	carbonic anhydrase	0.0243	0.3005	0.3624
Echinococcus multilocularis	g protein coupled receptor	0.0015	0.006	0.0072
Echinococcus granulosus	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Echinococcus multilocularis	somatostatin receptor	0.0015	0.006	0.0072
Brugia malayi	cytochrome P450	0.0021	0.0135	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0015	0.006	0.0072
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0324	0.0391
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0272	0.0271
Echinococcus multilocularis	indoleamine 2,3 dioxygenase 2	0.0652	0.8293	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0517	0.6553	0.6506
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0272	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus granulosus	cpg binding protein	0.0029	0.0242	0.0292
Echinococcus multilocularis	neuropeptide receptor	0.0015	0.006	0.0072
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0015	0.006	0.0072
Echinococcus multilocularis	fmrfamide receptor	0.0015	0.006	0.0072
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0015	0.006	0.0072
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0015	0.006	0.0072
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0015	0.006	0.0072
Loa Loa (eye worm)	carbonic anhydrase 3	0.0517	0.6553	0.6553
Echinococcus granulosus	g protein coupled receptor	0.0015	0.006	0.0072
Loa Loa (eye worm)	indoleamine 2,3-dioxygenase	0.0652	0.8293	0.8292
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.0272	0.0271
Echinococcus granulosus	neuropeptide s receptor	0.0015	0.006	0.0072
Echinococcus granulosus	jumonji domain containing protein	0.0039	0.037	0.0446
Echinococcus multilocularis	G protein coupled receptor 139	0.0015	0.006	0.0072
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0015	0.006	0.0072
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0243	0.3005	0.3004
Loa Loa (eye worm)	hypothetical protein	0.0784	1	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0015	0.006	0.0072
Brugia malayi	hypothetical protein	0.0015	0.006	0.0058
Loa Loa (eye worm)	jmjC domain-containing protein	0.0058	0.0616	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0015	0.006	0.0072
Echinococcus granulosus	neuropeptide Y receptor	0.0015	0.006	0.0072
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0141	0.1684	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Schistosoma mansoni	hypothetical protein	0.0021	0.0135	0.0092
Echinococcus granulosus	peregrin	0.0028	0.0227	0.0274
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0517	0.6553	0.6553
Echinococcus granulosus	tm gpcr rhodopsin	0.0015	0.006	0.0072
Loa Loa (eye worm)	G-protein coupled receptor	0.0015	0.006	0.0058
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0028	0.0227	0.0274
Schistosoma mansoni	hypothetical protein	0.0243	0.3005	0.3577
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0015	0.006	0.0058
Plasmodium falciparum	phd finger protein, putative	0.0028	0.0227	0.0746
Schistosoma mansoni	cpg binding protein	0.0028	0.0221	0.0196
Leishmania major	carbonic anhydrase-like protein	0.0517	0.6553	0.6506
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus multilocularis	g protein coupled receptor	0.0015	0.006	0.0072
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0243	0.3005	0.3004
Echinococcus multilocularis	carbonic anhydrase	0.0243	0.3005	0.3624
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3592	0.5
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0784	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0141	0.1684	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0015	0.006	0.0058
Toxoplasma gondii	hypothetical protein	0.0243	0.3005	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.3592	1
Echinococcus granulosus	neuropeptide receptor	0.0015	0.006	0.0072
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0015	0.006	0.0072
Echinococcus granulosus	sex peptide receptor	0.0015	0.006	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus granulosus	fmrfamide receptor	0.0015	0.006	0.0072
Echinococcus granulosus	G protein coupled receptor 139	0.0015	0.006	0.0072
Brugia malayi	Cytochrome P450 family protein	0.0032	0.0272	0.0271
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0032	0.0272	0.0884
Brugia malayi	jmjC domain containing protein	0.0092	0.1058	0.1057
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0015	0.006	0.0058
Schistosoma mansoni	cpg binding protein	0.0029	0.0242	0.0221
Brugia malayi	hypothetical protein	0.0015	0.006	0.0058
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0092	0.1058	0.1276
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3592	0.5
Echinococcus multilocularis	carbonic anhydrase II	0.0517	0.6553	0.7902
Echinococcus granulosus	carbonic anhydrase	0.0243	0.3005	0.3624
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Trypanosoma brucei	cytochrome P450, putative	0.0032	0.0272	0.0139
Echinococcus multilocularis	peregrin	0.0028	0.0227	0.0274
Loa Loa (eye worm)	CYP4Cod1	0.0032	0.0272	0.0271
Echinococcus multilocularis		0.0021	0.0135	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0243	0.3005	0.3004
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0227	1
Giardia lamblia	Fructose-bisphosphate aldolase	0.0288	0.3592	1
Echinococcus granulosus	g protein coupled receptor	0.0015	0.006	0.0072
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0784	1	1
Brugia malayi	indoleamine 2,3-dioxygenase	0.0652	0.8293	0.8292
Echinococcus granulosus	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Echinococcus granulosus	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Schistosoma mansoni	hypothetical protein	0.0652	0.8293	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus granulosus	g protein coupled receptor	0.0015	0.006	0.0072
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0243	0.3005	0.3004
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0015	0.006	0.0072
Echinococcus granulosus	neuropeptides capa receptor	0.0015	0.006	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0015	0.006	0.0072
Brugia malayi	sulfakinin receptor protein	0.0015	0.006	0.0058
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0015	0.006	0.0072
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0015	0.006	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Schistosoma mansoni	hypothetical protein	0.0396	0.4987	0.5984
Loa Loa (eye worm)	cytochrome P450 family protein	0.0067	0.0732	0.073
Trypanosoma brucei	carbonic anhydrase-like protein	0.0517	0.6553	0.6506
Schistosoma mansoni	hypothetical protein	0.0028	0.0227	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0227	0.0318
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0517	0.6553	0.7887
Echinococcus granulosus	tm gpcr rhodopsin	0.0015	0.006	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0227	0.0225
Brugia malayi	hypothetical protein	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0243	0.3005	0.3004
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Schistosoma mansoni	jumonji domain containing protein	0.0073	0.0812	0.0914
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3592	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0543	0.1421
Echinococcus granulosus	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0015	0.006	0.0058
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3592	0.5
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0517	0.6553	0.6506
Echinococcus multilocularis	neuropeptide Y receptor	0.0015	0.006	0.0072
Echinococcus granulosus	neuropeptides capa receptor	0.0015	0.006	0.0072
Brugia malayi	Dopamine receptor protein 2	0.0015	0.006	0.0058
Brugia malayi	jmjC domain containing protein	0.0036	0.0324	0.0323
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Loa Loa (eye worm)	neuropeptide F receptor	0.0015	0.006	0.0058
Leishmania major	cytochrome p450-like protein	0.0032	0.0272	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0015	0.006	0.0072
Brugia malayi	Melatonin receptor type 1A	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Brugia malayi	Cytochrome P450 family protein	0.0067	0.0732	0.073
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0243	0.3005	0.3004
Plasmodium falciparum	carbonic anhydrase	0.0243	0.3005	1
Brugia malayi	follicle stimulating hormone receptor	0.0015	0.006	0.0058
Echinococcus granulosus	tm gpcr rhodopsin	0.0015	0.006	0.0072
Schistosoma mansoni	carbonic anhydrase-related	0.0243	0.3005	0.3577
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3592	0.5
Echinococcus granulosus	cytochrome P450 2K1	0.0021	0.0135	0.0163
Brugia malayi	larval opioid receptor	0.0015	0.006	0.0058
Echinococcus granulosus	neuropeptide Y receptor	0.0015	0.006	0.0072
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0243	0.3005	0.3004
Brugia malayi	RE15519p	0.0015	0.006	0.0058
Echinococcus multilocularis	lysine specific demethylase 5A	0.0034	0.0304	0.0366
Echinococcus multilocularis	neuropeptide receptor	0.0015	0.006	0.0072
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0015	0.006	0.0072
Echinococcus granulosus	somatostatin receptor	0.0015	0.006	0.0072
Schistosoma mansoni	hypothetical protein	0.0035	0.0312	0.0307
Schistosoma mansoni	carbonic anhydrase-related	0.0243	0.3005	0.3577
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0312	0.0377
Brugia malayi	putative neuropeptide receptor	0.0015	0.006	0.0058
Echinococcus granulosus	orexin receptor type 2	0.0015	0.006	0.0072
Echinococcus granulosus	dro:myosuppressin receptor	0.0015	0.006	0.0072
Schistosoma mansoni	cytochrome P450	0.0021	0.0135	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Treponema pallidum	fructose-bisphosphate aldolase	0.0288	0.3592	0.5
Echinococcus multilocularis	jumonji domain containing protein	0.0039	0.037	0.0446
Onchocerca volvulus		0.0028	0.0221	0.9674
Echinococcus granulosus	neuropeptide receptor A26	0.0015	0.006	0.0072
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0221	0.022
Echinococcus granulosus	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Brugia malayi	hypothetical protein	0.0035	0.0312	0.0311
Echinococcus granulosus	dnaJ subfamily B	0.0396	0.4987	0.6013
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0016	0.007	0.0013
Loa Loa (eye worm)	melatonin receptor type 1A	0.0015	0.006	0.0058
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0288	0.3592	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0517	0.6553	0.6553
Echinococcus granulosus	carbonic anhydrase	0.0243	0.3005	0.3624
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Loa Loa (eye worm)	cytochrome P450	0.0021	0.0135	0.0134
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0324	0.0323
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0324	0.0321
Brugia malayi	hypothetical protein	0.0015	0.006	0.0058
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0312	0.0307
Loa Loa (eye worm)	PHD-finger family protein	0.0028	0.0227	0.0225
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0015	0.006	0.0058
Brugia malayi	G-protein coupled receptor	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0015	0.006	0.0072
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0028	0.0227	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus granulosus	neuropeptide receptor	0.0015	0.006	0.0072
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0015	0.006	0.0072
Brugia malayi	GnHR receptor homolog	0.0015	0.006	0.0058
Brugia malayi	Dopamine receptor protein 1	0.0015	0.006	0.0058
Loa Loa (eye worm)	neuropeptide F receptor	0.0015	0.006	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Echinococcus granulosus	serotonin receptor	0.0015	0.006	0.0072
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0015	0.006	0.0072
Echinococcus multilocularis	g-protein coupled receptor	0.0015	0.006	0.0072
Echinococcus granulosus	hypothetical protein	0.0015	0.006	0.0072
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0517	0.6553	0.7887
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0015	0.006	0.0058
Echinococcus granulosus	g-protein coupled receptor	0.0015	0.006	0.0072
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0312	0.0377
Schistosoma mansoni	hypothetical protein	0.0652	0.8293	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Brugia malayi	PHD-finger family protein	0.0028	0.0227	0.0225
Brugia malayi	G protein-coupled receptor F59B2.13	0.0015	0.006	0.0058
Echinococcus multilocularis	dro:myosuppressin receptor	0.0015	0.006	0.0072
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0015	0.006	0.0072
Echinococcus granulosus	7tm_1 domain containing protein	0.0015	0.006	0.0072
Echinococcus multilocularis	neuropeptides capa receptor	0.0015	0.006	0.0072
Echinococcus multilocularis	neuropeptides capa receptor	0.0015	0.006	0.0072
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3592	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0288	0.3592	0.5
Echinococcus granulosus	allatostatin A receptor	0.0015	0.006	0.0072
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0015	0.006	0.0072
Echinococcus multilocularis	allatostatin A receptor	0.0015	0.006	0.0072
Brugia malayi	F/Y-rich N-terminus family protein	0.0018	0.0091	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Schistosoma mansoni	cpg binding protein	0.0029	0.0242	0.0221
Echinococcus multilocularis	neuropeptide s receptor	0.0015	0.006	0.0072
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0141	0.1684	1
Echinococcus multilocularis	cpg binding protein	0.0029	0.0242	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0015	0.006	0.0058
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0243	0.3005	0.3004
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0015	0.006	0.0072

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (ADMET)	= 3.1623 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ]	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1366413

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1221258