TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 634.81 | Formula: C38H46N6O3
H donors: 2 H acceptors: 3 LogP: 5.21 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: O=C(N1CCC(CC1)n1c(=O)[nH]c2c1cccc2)N[C@@H](C(=O)N1CCC(CC1)N1CCCCC1)Cc1ccc(cc1)c1ccccc1
InChi: 1S/C38H46N6O3/c45-36(42-23-17-31(18-24-42)41-21-7-2-8-22-41)34(27-28-13-15-30(16-14-28)29-9-3-1-4-10-29)40-37(46)43-25-19-32(20-26-43)44-35-12-6-5-11-33(35)39-38(44)47/h1,3-6,9-16,31-32,34H,2,7-8,17-27H2,(H,39,47)(H,40,46)/t34-/m1/s1
InChiKey: XQQODFXEFSPXTA-UUWRZZSWSA-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 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References
Homo sapiens	calcitonin receptor-like	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	calcitonin receptor-like	461 aa	434 aa	28.6 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	glucosylceramidase, putative	0.0198	0.094	0.0914
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0009	0.0009
Echinococcus granulosus	smad	0.0018	0.005	0.0051
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0036	0.0032
Brugia malayi	MH1 domain containing protein	0.0018	0.005	0.0049
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.024	0.1147	0.1161
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0015	0.0014
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.002	0.0063	0.0034
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0013	0.0029	0.0029
Schistosoma mansoni	smad	0.0008	0.0002	0.0002
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0036	0.0035
Loa Loa (eye worm)	heterochromatin protein 1	0.0081	0.0365	0.0368
Toxoplasma gondii	chromodomain helicase DNA binding protein CHD1/SWI2/SNF2	0.0013	0.0029	0.0000036731
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0004	0.0003
Brugia malayi	chromobox protein homolog 3	0.0046	0.0188	0.0189
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0232	0.1107	0.1121
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0015	0.0016
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0015	0.0014
Brugia malayi	hypothetical protein	0.0013	0.0029	0.0027
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0205	0.0177
Brugia malayi	M-phase phosphoprotein, mpp8	0.0013	0.0029	0.0027
Trichomonas vaginalis	glucosylceramidase, putative	0.0198	0.094	0.0914
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0037	0.0144	0.0146
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0037	0.0144	0.0142
Trichomonas vaginalis	glucosylceramidase, putative	0.0198	0.094	0.0914
Loa Loa (eye worm)	CYP4Cod1	0.0015	0.0036	0.0035
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0018	0.005	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0004	0.0003
Plasmodium vivax	hypothetical protein, conserved	0.0013	0.0029	0.0024
Echinococcus multilocularis	geminin	0.0178	0.0844	0.0856
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0015	0.0014
Schistosoma mansoni	6-phosphogluconolactonase	0.0029	0.0104	0.0105
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0037	0.0144	0.0146
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0015	0.0016
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0036	0.0032
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0015	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0188	0.0189
Onchocerca volvulus		0.0036	0.0139	0.1467
Schistosoma mansoni	cpg binding protein	0.0032	0.0121	0.0122
Schistosoma mansoni	6-phosphogluconolactonase	0.0029	0.0104	0.0105
Mycobacterium tuberculosis	Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD)	0.0695	0.3396	1
Mycobacterium leprae	Probable 6-phosphogluconolactonase DevB (6PGL)	0.0029	0.0104	0.5
Schistosoma mansoni	hypothetical protein	0.0073	0.0325	0.033
Echinococcus multilocularis	cpg binding protein	0.0032	0.0121	0.0122
Echinococcus granulosus	SPRY domain containing protein	0.0008	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0015	0.0014
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.2032	1	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0198	0.094	1
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0015	0.0037	0.0038
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.0029	0.0065
Echinococcus multilocularis	GPCR, family 2	0.0073	0.0325	0.033
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.2032	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0232	0.1107	0.1121
Trichomonas vaginalis	glucosylceramidase, putative	0.0198	0.094	0.0914
Brugia malayi	MH2 domain containing protein	0.0018	0.005	0.0049
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0015	0.0014
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.002	0.0063	0.0034
Echinococcus granulosus	DNA repair and recombination protein RAD54B	0.0008	0.0004	0.0004
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0037	0.0144	0.014
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0013	0.0029	0.0029
Trypanosoma brucei	glucosamine-6-phosphate isomerase, putative	0.0029	0.0104	0.0101
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0015	0.0016
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0073	0.0325	0.033
Loa Loa (eye worm)	hypothetical protein	0.001	0.0011	0.0009
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0227	0.0228
Loa Loa (eye worm)	helicase	0.0013	0.0029	0.0027
Echinococcus multilocularis		0.0008	0.0004	0.0004
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0015	0.0016
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0027	0.0098	0.0095
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0015	0.0016
Brugia malayi	Associated with TFs and helicases family protein	0.0013	0.0029	0.0027
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0015	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0029	0.0027
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0015	0.0016
Trypanosoma brucei	6-phosphogluconolactonase	0.0029	0.0104	0.0101
Loa Loa (eye worm)	flap endonuclease-1	0.0027	0.0098	0.0098
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0015	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0015	0.0014
Schistosoma mansoni	smad1 5 8 and	0.0018	0.005	0.0051
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.2003	0.9859	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0029	0.0027
Toxoplasma gondii	isocitrate dehydrogenase	0.0037	0.0144	0.0116
Plasmodium vivax	heterochromatin protein 1, putative	0.0013	0.0029	0.0024
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0015	0.0016
Brugia malayi	Type III restriction enzyme, res subunit family protein	0.0013	0.0029	0.0027
Brugia malayi	SET domain containing protein	0.0014	0.0032	0.0031
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0073	0.0325	0.0328
Giardia lamblia	DNA repair protein RAD52	0.0768	0.3757	0.3695
Schistosoma mansoni	Smad4	0.0008	0.0002	0.0002
Loa Loa (eye worm)	MH2 domain-containing protein	0.0259	0.124	0.1257
Plasmodium vivax	hypothetical protein, conserved	0.0013	0.0029	0.0024
Brugia malayi	Smad1	0.0018	0.005	0.0049
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0015	0.0016
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.002	0.0063	0.0034
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0015	0.0016
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.2003	0.9859	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0015	0.0016
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0029	0.0104	0.0075
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0015	0.0014
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0232	0.1107	0.1121
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0015	0.0014
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0015	0.0014
Echinococcus granulosus	flap endonuclease 1	0.0027	0.0098	0.01
Plasmodium vivax	flap endonuclease 1, putative	0.0027	0.0098	0.0094
Echinococcus granulosus	mothers against decapentaplegic 5	0.0018	0.005	0.0051
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0018	0.005	0.0051
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.002	0.0063	0.0034
Loa Loa (eye worm)	hypothetical protein	0.0232	0.1107	0.1121
Brugia malayi	6-phosphogluconolactonase family protein	0.0029	0.0104	0.0104
Brugia malayi	CXXC zinc finger family protein	0.003	0.0112	0.0112
Plasmodium falciparum	flap endonuclease 1	0.0027	0.0098	0.0094
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0015	0.0016
Schistosoma mansoni	cpg binding protein	0.003	0.0112	0.0114
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.2032	1	1
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0745	0.0754
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0015	0.0014
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0015	0.0016
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0016	0.0044	0.0016
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0015	0.0014
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.0029	0.0065
Echinococcus multilocularis	mothers against decapentaplegic 6	0.0008	0.0002	0.0002
Plasmodium falciparum	chromodomain-helicase-DNA-binding protein 1 homolog, putative	0.0013	0.0029	0.0024
Echinococcus granulosus	dna repair and recombination protein rad54	0.0008	0.0004	0.0004
Echinococcus granulosus	muscleblind protein	0.0157	0.074	0.075
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0017	0.0047	0.0018
Schistosoma mansoni	chromobox protein	0.0081	0.0365	0.037
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.002	0.0063	0.0034
Echinococcus granulosus	geminin	0.0178	0.0844	0.0856
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.0029	0.0000036731
Echinococcus multilocularis	chromobox protein 2	0.0013	0.0029	0.0029
Leishmania major	cytochrome p450-like protein	0.0015	0.0036	0.0032
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0015	0.0014
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0009	0.0007
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.2003	0.9859	1
Loa Loa (eye worm)	hypothetical protein	0.0157	0.074	0.0749
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0029	0.0027
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0064	0.028	0.0284
Schistosoma mansoni	chromobox protein	0.0013	0.0029	0.0029
Trichomonas vaginalis	chromobox protein, putative	0.0081	0.0365	0.0337
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	0.1452	0.1428
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0015	0.0014
Echinococcus granulosus	Chromo domain	0.0013	0.0029	0.0029
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0015	0.0145
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0227	0.0228
Brugia malayi	MH2 domain containing protein	0.0259	0.124	0.1257
Echinococcus multilocularis	Chromo domain	0.0013	0.0029	0.0029
Echinococcus multilocularis	muscleblind protein 1	0.0157	0.074	0.075
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0029	0.0027
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0015	0.0014
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0036	0.0035
Schistosoma mansoni	smad1 5 8 and	0.0018	0.005	0.0051
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.2003	0.9859	1
Echinococcus multilocularis	dna repair and recombination protein rad54	0.0008	0.0004	0.0004
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0009	0.0007
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0015	0.0014
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0037	0.0144	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1141	0.1156
Echinococcus multilocularis		0.0008	0.0004	0.0004
Trichomonas vaginalis	conserved hypothetical protein	0.0017	0.0047	0.0018
Brugia malayi	recombination factor GdRad54	0.0008	0.0004	0.0003
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0015	0.0037	0.0038
Schistosoma mansoni	glucosamine-6-phosphate isomerase	0.0029	0.0104	0.0105
Trichomonas vaginalis	glucosylceramidase, putative	0.0198	0.094	0.0914
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	0.1452	0.1428
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0027	0.0098	0.0095
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0037	0.0144	0.0142
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0046	0.0188	0.1986
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0015	0.0016
Leishmania major	glucosamine-6-phosphate isomerase, putative	0.0029	0.0104	0.0101
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0015	0.0016
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0049	0.0205	0.2168
Schistosoma mansoni	chromobox protein	0.0081	0.0365	0.037
Giardia lamblia	Glucosamine-6-phosphate deaminase	0.0029	0.0104	0.0006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0227	0.023
Entamoeba histolytica	glucosamine-6-phosphate isomerase, putative	0.0029	0.0104	0.0265
Entamoeba histolytica	hypothetical protein	0.0013	0.0029	0.0065
Brugia malayi	Valyl-tRNA synthetase	0.0013	0.0029	0.0027
Loa Loa (eye worm)	nuclear factor I	0.001	0.0011	0.0009
Giardia lamblia	Glucosamine-6-phosphate deaminase	0.0029	0.0104	0.0006
Echinococcus granulosus	chromobox protein 1	0.0081	0.0365	0.037
Treponema pallidum	glucose-6-phosphate 1-dehydrogenase	0.2003	0.9859	1
Trichomonas vaginalis	flap endonuclease-1, putative	0.0027	0.0098	0.007
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.2032	1	1
Echinococcus granulosus	6 phosphogluconolactonase	0.0029	0.0104	0.0105
Trichomonas vaginalis	glucosylceramidase, putative	0.0198	0.094	0.0914
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0015	0.0016
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0015	0.0016
Brugia malayi	Latrophilin receptor protein 2	0.0073	0.0325	0.0328
Mycobacterium ulcerans	6-phosphogluconolactonase	0.0029	0.0104	0.0069
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0013	0.0029	0.0000036731
Entamoeba histolytica	hypothetical protein	0.0219	0.1042	0.2766
Schistosoma mansoni	hypothetical protein	0.0178	0.0844	0.0856
Brugia malayi	MH1 domain containing protein	0.001	0.0011	0.0009
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0301	0.1452	0.1472
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.1308	0.6426	0.6505
Echinococcus multilocularis	Smad4	0.0018	0.005	0.0051
Schistosoma mansoni	hypothetical protein	0.0073	0.0325	0.033
Schistosoma mansoni	hypothetical protein	0.0158	0.0745	0.0756
Echinococcus multilocularis	chromobox protein 1	0.0081	0.0365	0.037
Trypanosoma cruzi	6-phosphogluconolactonase, putative	0.0029	0.0104	0.0101
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0073	0.0325	0.033
Echinococcus multilocularis	isocitrate dehydrogenase	0.0037	0.0144	0.0146
Brugia malayi	MH2 domain containing protein	0.0018	0.005	0.0049
Schistosoma mansoni	DNA repair and recombination protein rad54-related	0.0008	0.0004	0.0004
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	0.1452	0.1428
Echinococcus multilocularis	chromodomain helicase DNA binding protein 1	0.0013	0.0029	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0015	0.0014
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0018	0.005	0.0051
Trypanosoma cruzi	glucosamine-6-phosphate isomerase, putative	0.0029	0.0104	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0004	0.0003
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0015	0.0037	0.0038
Echinococcus multilocularis	dna repair and recombination protein rad54	0.0008	0.0004	0.0004
Echinococcus granulosus	transcription factor eb	0.024	0.1147	0.1163
Trypanosoma cruzi	6-phosphogluconolactonase, putative	0.0029	0.0104	0.0101
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0015	0.0016
Loa Loa (eye worm)	transcription factor SMAD2	0.0259	0.124	0.1257
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.2032	1	1
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0027	0.0098	0.007
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0112	0.0112
Loa Loa (eye worm)	CHromoDomain protein family member	0.0015	0.0037	0.0036
Entamoeba histolytica	hypothetical protein	0.0013	0.0029	0.0065
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0015	0.0016
Echinococcus granulosus	SPRY domain containing protein	0.0008	0.0004	0.0004
Brugia malayi	Type III restriction enzyme, res subunit family protein	0.0008	0.0004	0.0003
Plasmodium falciparum	heterochromatin protein 1	0.0013	0.0029	0.0024
Schistosoma mansoni	cpg binding protein	0.0032	0.0121	0.0122
Echinococcus multilocularis	dna repair and recombination protein rad54	0.0008	0.0004	0.0004
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0073	0.0325	0.0328
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0015	0.0014
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0015	0.0014
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0768	0.3757	1
Trichomonas vaginalis	chromobox protein, putative	0.0081	0.0365	0.0337
Brugia malayi	Protein cec-1.	0.0013	0.0029	0.0027
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0122	0.0094
Brugia malayi	glucose-6-phosphate dehydrogenase	0.2003	0.9859	1
Echinococcus multilocularis	chromobox protein 1	0.0081	0.0365	0.037
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0219	0.1042	0.2766
Schistosoma mansoni	smad	0.0018	0.005	0.0051
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0227	0.023
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	0.1452	0.1428
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.0644	0.3147	0.3189
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0015	0.0016
Echinococcus multilocularis	mothers against decapentaplegic 2	0.0008	0.0002	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0015	0.0014
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0015	0.0016
Echinococcus granulosus	cpg binding protein	0.0032	0.0121	0.0122
Brugia malayi	Cytochrome P450 family protein	0.0015	0.0036	0.0035
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0037	0.0144	0.0146
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0015	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0004	0.0003
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0014	0.0032	0.0032
Brugia malayi	ecdysteroid receptor	0.0011	0.0015	0.0014
Onchocerca volvulus		0.0013	0.0029	0.0286
Brugia malayi	CHD4 protein	0.0015	0.0037	0.0036
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0205	0.0177
Brugia malayi	isocitrate dehydrogenase	0.0037	0.0144	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0029	0.0027
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0037	0.0144	0.0142
Onchocerca volvulus		0.0168	0.0794	0.8444
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.002	0.0063	0.0034
Schistosoma mansoni	chromobox protein	0.0013	0.0029	0.0029
Schistosoma mansoni	hypothetical protein	0.0013	0.0029	0.0029
Leishmania major	6-phosphogluconolactonase	0.0029	0.0104	0.0101
Echinococcus granulosus	chromodomain helicase DNA binding protein 1	0.0013	0.0029	0.0029
Echinococcus granulosus	Chromobox protein 3	0.0013	0.0029	0.0029
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.2032	1	1
Toxoplasma gondii	isocitrate dehydrogenase	0.0037	0.0144	0.0116
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0227	0.023
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0015	0.0016
Echinococcus granulosus	GPCR family 2	0.0073	0.0325	0.033
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0037	0.0144	0.0146
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0015	0.0016
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.2003	0.9859	1
Echinococcus multilocularis	flap endonuclease 1	0.0027	0.0098	0.01
Trypanosoma cruzi	glucosamine-6-phosphate isomerase, putative	0.0029	0.0104	0.0101
Brugia malayi	Muscleblind-like protein	0.0157	0.074	0.0749
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0188	0.016
Schistosoma mansoni	hypothetical protein	0.0073	0.0325	0.033
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0227	0.023
Echinococcus multilocularis	SPRY domain containing protein	0.0008	0.0004	0.0004
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0037	0.0144	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0029	0.0027
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0015	0.0145
Loa Loa (eye worm)	hypothetical protein	0.0157	0.074	0.0749
Brugia malayi	Isocitrate dehydrogenase	0.0037	0.0144	0.0145
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0664	0.3242	0.3285
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0015	0.0014
Trypanosoma brucei	cytochrome P450, putative	0.0015	0.0036	0.0032
Echinococcus granulosus	chromobox protein 2	0.0013	0.0029	0.0029
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0015	0.0014
Trichomonas vaginalis	glucosylceramidase, putative	0.0208	0.0993	0.0967
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0037	0.0144	0.0145
Loa Loa (eye worm)	6-phosphogluconolactonase	0.0029	0.0104	0.0104
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0015	0.0014
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.2003	0.9859	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0015	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0168	0.0794	0.0804
Brugia malayi	Flap endonuclease-1	0.0027	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0029	0.0027
Schistosoma mansoni	Smad4	0.0008	0.0002	0.0002
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0227	0.023
Brugia malayi	latrophilin 2 splice variant baaae	0.0158	0.0745	0.0754
Schistosoma mansoni	hypothetical protein	0.0178	0.0844	0.0856
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0188	0.016
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.2003	0.9859	1
Brugia malayi	nuclear hormone receptor	0.0011	0.0015	0.0014
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0015	0.0016
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.2003	0.9859	1
Brugia malayi	MH1 domain containing protein	0.001	0.0011	0.0009
Loa Loa (eye worm)	type III restriction enzyme	0.0008	0.0004	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0015	0.0014
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0037	0.0144	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0015	0.0014
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.002	0.0063	0.0034
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0015	0.0014
Brugia malayi	steroid hormone receptor	0.0011	0.0015	0.0014
Brugia malayi	hypothetical protein	0.0168	0.0794	0.0804
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.0029	0.0000036731
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0037	0.0144	0.014
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0325	0.0328
Trichomonas vaginalis	glucosylceramidase, putative	0.0208	0.0993	0.0967
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0227	0.023
Echinococcus granulosus	chromobox protein 1	0.0081	0.0365	0.037
Echinococcus multilocularis	transcription factor eb	0.024	0.1147	0.1163
Schistosoma mansoni	smad1 5 8 and	0.0018	0.005	0.0051
Schistosoma mansoni	DNA repair and recombination protein rad54-related	0.0008	0.0004	0.0004
Onchocerca volvulus		0.0011	0.0015	0.0145
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0073	0.0325	0.033
Echinococcus granulosus	mothers against decapentaplegic 6	0.0008	0.0002	0.0002
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.002	0.0063	0.0034
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0015	0.0016
Schistosoma mansoni	Smad4	0.0018	0.005	0.0051
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0015	0.0014
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0013	0.0029	0.0065
Trichomonas vaginalis	glucosylceramidase, putative	0.0198	0.094	0.0914
Echinococcus multilocularis	smad	0.0018	0.005	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0015	0.0014
Echinococcus multilocularis	SPRY domain containing protein	0.0008	0.0004	0.0004
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.2003	0.9859	1
Entamoeba histolytica	Flap nuclease, putative	0.0027	0.0098	0.025
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0015	0.0014
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0073	0.0325	0.033
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0015	0.0016
Echinococcus multilocularis	muscleblind protein	0.0157	0.074	0.075
Brugia malayi	Cytochrome P450 family protein	0.0015	0.0036	0.0035
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	0.1452	0.1428
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0015	0.0014
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.1308	0.6426	0.6416
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.18	0.8856	0.8983
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0015	0.0014
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0037	0.0144	0.0142
Onchocerca volvulus		0.003	0.0112	0.1177
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0238	0.1141	0.1156
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0027	0.0098	0.0095
Loa Loa (eye worm)	MH2 domain-containing protein	0.0018	0.005	0.0049
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0227	0.023
Loa Loa (eye worm)	Smad1	0.0018	0.005	0.0049
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0018	0.005	0.0051
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0015	0.0016
Schistosoma mansoni	flap endonuclease-1	0.0025	0.0085	0.0087
Echinococcus granulosus	SPRY domain containing protein	0.0008	0.0004	0.0004
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0139	0.014
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0013	0.0029	0.0029
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0015	0.0014
Entamoeba histolytica	hypothetical protein	0.0013	0.0029	0.0065
Echinococcus granulosus	Smad4	0.0018	0.005	0.0051
Echinococcus multilocularis	6 phosphogluconolactonase	0.0029	0.0104	0.0105
Onchocerca volvulus		0.0013	0.0029	0.0286
Brugia malayi	MH1 domain containing protein	0.0018	0.005	0.0049
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0015	0.0014
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0122	0.0094
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.0246	0.0218
Loa Loa (eye worm)	MH1 domain-containing protein	0.0018	0.005	0.0049
Schistosoma mansoni	coup transcription factor	0.0011	0.0015	0.0016
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0015	0.0016
Onchocerca volvulus		0.0014	0.0032	0.0321
Echinococcus multilocularis	Chromobox protein 3	0.0013	0.0029	0.0029
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0301	0.1452	0.1472
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0013	0.0029	0.0024
Echinococcus granulosus	mothers against decapentaplegic 2	0.0008	0.0002	0.0002
Schistosoma mansoni	hypothetical protein	0.0073	0.0325	0.033
Trichomonas vaginalis	glucosylceramidase, putative	0.0301	0.1452	0.1428
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0015	0.0016
Brugia malayi	Heterochromatin protein 1	0.0081	0.0365	0.0368

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (ADMET)	= 1.3 uM	Inhibition of human recombinant CYP3A4 expressed in baculo-virus infected insect microsomes using benzyloxyresorufin as substrate after 45 mins by fluorescence detection assay	ChEMBL.	22727645
Ki (binding)	= 250 nM	Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs	ChEMBL.	22727645

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: CHEMBL2059800

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1663952