TDR Targets

Basic information

Technical information

TDR Targets ID: 1446348
Name: 4-[(1S)-2-hydroxy-1-phenylethyl]-1-(2-phenyle thyl)-1,4-diazepan-5-one
MW: 338.443 | Formula: C21H26N2O2
H donors: 1 H acceptors: 2 LogP: 2.27 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OC[C@@H](N1CCN(CCC1=O)CCc1ccccc1)c1ccccc1
InChi: 1S/C21H26N2O2/c24-17-20(19-9-5-2-6-10-19)23-16-15-22(14-12-21(23)25)13-11-18-7-3-1-4-8-18/h1-10,20,24H,11-17H2/t20-/m1/s1
InChiKey: CWQVPCLMNZAWNF-HXUWFJFHSA-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

4-[(1S)-2-hydroxy-1-phenyl-ethyl]-1-(2-phenylethyl)-1,4-diazepan-5-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, beta, acid	Starlite/ChEMBL	No references
Homo sapiens	l(3)mbt-like 1 (Drosophila)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 4 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	O-Glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus granulosus	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130415	All targets in OG5_130415
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Onchocerca volvulus	Glucosylceramidase homolog	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 3 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423

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 granulosus	FTZ F1 alpha	0.0083	0.0515	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0039	0.013	0.0256
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0324	0.032
Echinococcus granulosus	polycomb protein SCMH1	0.0058	0.0289	0.0282
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2511	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0606	0.5079	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0606	0.5079	0.5279
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0166	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0532	0.1048
Mycobacterium ulcerans	lipase LipD	0.0043	0.0166	0.5
Plasmodium falciparum	flap endonuclease 1	0.0025	0.0007	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0166	0.0634
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0083	0.0515	0.2668
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0083	0.0515	0.1015
Echinococcus multilocularis	dna polymerase eta	0.0044	0.0166	0.0166
Echinococcus multilocularis	nuclear receptor nhr 48	0.0039	0.013	0.0128
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0025	0.0007	0.0014
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0083	0.0515	0.0509
Brugia malayi	Bromodomain containing protein	0.0091	0.0577	0.1137
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0091	0.0084
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2511	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0091	0.0088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0174	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0216	0.0425
Brugia malayi	photoreceptor-specific nuclear receptor	0.0083	0.0515	0.1015
Loa Loa (eye worm)	hypothetical protein	0.0039	0.013	0.0256
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0166	0.0162
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0083	0.0515	0.0512
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0227	0.1769	0.1764
Toxoplasma gondii	ABC1 family protein	0.0043	0.0166	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0083	0.0515	0.2668
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0039	0.013	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0166	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0166	0.0327
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1574	0.6258
Loa Loa (eye worm)	hypothetical protein	0.0039	0.013	0.0256
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0174	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0039	0.013	0.0256
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0039	0.013	0.0123
Loa Loa (eye worm)	hypothetical protein	0.0039	0.013	0.0256
Brugia malayi	orphan nuclear receptor NR2E1	0.0039	0.013	0.0256
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0174	0.0343
Schistosoma mansoni	hypothetical protein	0.0165	0.1225	0.1221
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0174	0.0167
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0324	0.032
Brugia malayi	Nuclear hormone receptor E75	0.0039	0.013	0.0256
Echinococcus multilocularis	geminin	0.0165	0.1225	0.1267
Loa Loa (eye worm)	steroid hormone receptor	0.0083	0.0515	0.1015
Loa Loa (eye worm)	DR-78	0.0039	0.013	0.0256
Loa Loa (eye worm)	MBCTL1	0.0066	0.0359	0.0707
Schistosoma mansoni	bromodomain containing protein	0.0076	0.0454	0.045
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0025	0.0007	0.0014
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0083	0.0515	0.0512
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0083	0.0515	0.0529
Echinococcus multilocularis	FTZ F1 alpha	0.0083	0.0515	0.0529
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0039	0.013	0.0128
Brugia malayi	PHD-finger family protein	0.003	0.0049	0.0096
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.0289	0.0286
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0039	0.013	0.0128
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0324	0.0638
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0166	0.0634
Echinococcus granulosus	ecdysone induced protein 78C	0.0083	0.0515	0.0509
Brugia malayi	nuclear receptor RXR	0.0039	0.013	0.0256
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0166	0.5
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0359	0.0707
Brugia malayi	mbt repeat family protein	0.0058	0.0289	0.057
Schistosoma mansoni	zinc finger protein	0.0039	0.013	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0039	0.013	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0171	0.0337
Brugia malayi	hypothetical protein	0.0039	0.013	0.0256
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0166	0.0634
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0039	0.013	0.0128
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.2213	1
Echinococcus granulosus	geminin	0.0165	0.1225	0.1218
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0083	0.0515	0.0509
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0004	0.0007
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0025	0.0007	0.0427
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0312	0.2511	0.4944
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0027	0.0024	0.002
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0066	0.0359	0.0355
Onchocerca volvulus	Bile acid receptor homolog	0.0083	0.0515	0.2668
Echinococcus multilocularis	transcription factor Dp 1	0.0351	0.285	0.2959
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0166	0.5
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0324	0.0638
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.1125	0.9615	1
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0166	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0515	0.1015
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0083	0.0515	0.1015
Trichomonas vaginalis	esterase, putative	0.0043	0.0166	0.0634
Brugia malayi	nuclear receptor NHR-88	0.0039	0.013	0.0256
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2511	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0083	0.0515	0.1015
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0083	0.0515	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0515	0.1015
Brugia malayi	beta-lactamase family protein	0.0043	0.0166	0.0327
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0166	0.5
Onchocerca volvulus		0.0058	0.0289	0.1103
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0416	0.0409
Loa Loa (eye worm)	hypothetical protein	0.0039	0.013	0.0256
Entamoeba histolytica	hypothetical protein	0.0035	0.0091	0.0166
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0083	0.0515	0.0529
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0066	0.0359	0.0352
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0166	0.0327
Onchocerca volvulus		0.0083	0.0515	0.2668
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0058	0.0289	0.0294
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0083	0.0515	0.0529
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0166	0.0327
Schistosoma mansoni	nuclear hormone receptor	0.0083	0.0515	0.0512
Schistosoma mansoni	thyroid hormone receptor	0.0083	0.0515	0.0512
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0044	0.0171	0.0168
Brugia malayi	RNA binding protein	0.0062	0.0324	0.0638
Brugia malayi	steroid hormone receptor	0.0083	0.0515	0.1015
Leishmania major	DNA polymerase eta, putative	0.0031	0.0053	0.0105
Loa Loa (eye worm)	hypothetical protein	0.0039	0.013	0.0256
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0039	0.013	0.0256
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0606	0.5079	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0083	0.0515	0.1015
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0083	0.0515	0.0529
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0083	0.0515	0.0529
Brugia malayi	beta-lactamase	0.0043	0.0166	0.0327
Schistosoma mansoni	thyroid hormone receptor	0.0083	0.0515	0.0512
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0083	0.0515	0.0512
Brugia malayi	conserved hypotetical protein	0.0039	0.013	0.0256
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0039	0.013	0.0256
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.0166	0.0327
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0027	0.0024	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0289	0.057
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0166	0.0327
Entamoeba histolytica	hypothetical protein	0.0035	0.0091	0.0166
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0083	0.0515	0.1015
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0606	0.5079	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0171	0.0337
Brugia malayi	Bromodomain containing protein	0.0046	0.019	0.0374
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0043	0.0165	0.0165
Brugia malayi	TAR-binding protein	0.0062	0.0324	0.0638
Schistosoma mansoni	nuclear hormone receptor	0.0039	0.013	0.0126
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0083	0.0515	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0039	0.013	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0515	0.1015
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0515	0.1015
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1574	0.6258
Brugia malayi	Flap endonuclease-1	0.0025	0.0007	0.0014
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0324	0.0638
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0066	0.0359	0.0707
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.1574	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1574	0.6258
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0324	0.0317
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0166	0.0327
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0083	0.0515	0.1015
Brugia malayi	nuclear receptor NHR-67	0.0039	0.013	0.0256
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0083	0.0515	0.1015
Loa Loa (eye worm)	nuclear hormone receptor	0.0039	0.013	0.0256
Brugia malayi	nuclear receptor NHR-88	0.0083	0.0515	0.1015
Brugia malayi	hypothetical protein	0.0044	0.0171	0.0337
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0083	0.0515	0.1015
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0044	0.0171	0.0168
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0174	0.0171
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0606	0.5079	1
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0324	0.032
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0166	0.0162
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.0053	0.3202
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0174	0.0171
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.0166	0.0327
Brugia malayi	nuclear receptor RXR	0.0044	0.0171	0.0337
Echinococcus granulosus	transcription factor Dp 1	0.0351	0.285	0.2845
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0166	0.0327
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0606	0.5079	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0083	0.0515	0.0509
Leishmania major	hypothetical protein, conserved	0.0043	0.0166	0.0327
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0166	0.5
Loa Loa (eye worm)	mbt repeat family protein	0.0058	0.0289	0.057
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0083	0.0515	0.1015
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0166	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0039	0.013	0.0256
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2511	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0171	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0171	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0166	0.0327
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0083	0.0515	0.0509
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.167	0.6642
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0606	0.5079	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0171	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0236	0.0465
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0039	0.013	0.0123
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0083	0.0515	0.1015
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0083	0.0515	0.0529
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0083	0.0515	0.1015
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0091	0.0088
Brugia malayi	nuclear hormone receptor	0.0039	0.013	0.0256
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0166	0.0165
Brugia malayi	hypothetical protein	0.0035	0.0091	0.018
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0066	0.0359	0.0366
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0083	0.0515	0.1015
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0324	0.032
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1574	0.6258
Giardia lamblia	Flap structure-specific endonuclease	0.0025	0.0007	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2511	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0166	0.0327
Brugia malayi	Nuclear hormone receptor E75	0.0039	0.013	0.0256
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0066	0.0359	0.0366
Schistosoma mansoni	nuclear receptor	0.0039	0.013	0.0126
Schistosoma mansoni	retinoic acid receptor RXR	0.1169	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0166	1
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.2511	0.4944
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0039	0.013	0.0128
Brugia malayi	ecdysteroid receptor	0.0083	0.0515	0.1015
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0166	0.0327
Trypanosoma cruzi	DNA polymerase eta, putative	0.0031	0.0053	0.0105
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0324	0.032
Echinococcus multilocularis	polycomb protein SCMH1	0.0058	0.0289	0.0294
Echinococcus granulosus	fetal alzheimer antigen falz	0.0027	0.0024	0.0017
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0039	0.013	0.0123
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0416	0.0426
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1574	0.6258
Brugia malayi	Nuclear hormone receptor-like 1	0.0044	0.0171	0.0337
Onchocerca volvulus		0.0043	0.0166	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0039	0.013	0.0256
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0174	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0039	0.013	0.0256
Brugia malayi	Nuclear hormone receptor-like 1	0.0044	0.0171	0.0337
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.167	0.6642
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0324	0.0638
Loa Loa (eye worm)	flap endonuclease-1	0.0025	0.0007	0.0014
Schistosoma mansoni	coup transcription factor	0.0083	0.0515	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0515	0.1015
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0083	0.0515	0.1015
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0039	0.013	0.0126
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0174	0.0171
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0025	0.0007	0.0014
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0083	0.0515	0.0509
Onchocerca volvulus		0.0043	0.0166	0.0249
Echinococcus granulosus	nuclear receptor nhr 48	0.0039	0.013	0.0123
Echinococcus granulosus	histone acetyltransferase MYST2	0.0066	0.0359	0.0352
Schistosoma mansoni	RAR-like nuclear receptor	0.0083	0.0515	0.0512
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0166	0.0634
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0044	0.0171	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0039	0.013	0.0256
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0227	0.1769	0.1834
Brugia malayi	Steroid receptor seven-up type 2	0.0083	0.0515	0.1015
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0166	0.0634
Leishmania major	DNA polymerase eta, putative	0.0044	0.0166	0.0327
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0515	0.1015
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0606	0.5079	0.5077
Brugia malayi	Nuclear hormone receptor-like 1	0.0083	0.0515	0.1015
Schistosoma mansoni	nuclear receptor nhr-48	0.0039	0.013	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0166	0.0327
Onchocerca volvulus		0.0043	0.0166	0.0249
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0515	0.1015
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.0289	0.0286
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0044	0.0171	0.0171
Entamoeba histolytica	hypothetical protein	0.0035	0.0091	0.0166
Brugia malayi	hypothetical protein	0.0039	0.013	0.0256
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0083	0.0515	0.1015
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.2511	1
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0606	0.5079	1
Echinococcus granulosus	dna polymerase eta	0.0044	0.0166	0.0159
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0166	0.0159
Echinococcus multilocularis	ecdysone induced protein 78C	0.0083	0.0515	0.0529
Brugia malayi	tailless protein	0.0039	0.013	0.0256
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0058	0.0289	0.0286
Brugia malayi	nuclear hormone receptor family member odr-7	0.0039	0.013	0.0256
Schistosoma mansoni	hypothetical protein	0.035	0.2846	0.2843
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0083	0.0515	0.1015
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.0166	0.0327
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0058	0.0289	0.1103
Entamoeba histolytica	hypothetical protein	0.0035	0.0091	0.0166
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0044	0.0171	0.0337
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0039	0.013	0.0126
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0083	0.0515	0.1015
Brugia malayi	hypothetical protein	0.0044	0.0171	0.0337
Schistosoma mansoni	DNA polymerase eta	0.0044	0.0166	0.0162
Brugia malayi	mbt repeat family protein	0.0058	0.0289	0.057
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0083	0.0515	0.1015
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0191	0.0376
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0083	0.0515	0.1015
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0515	0.1015
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0166	0.5
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0039	0.013	0.0256
Echinococcus granulosus	SAM and MBT domain containing protein	0.0058	0.0289	0.0282
Schistosoma mansoni	hypothetical protein	0.0165	0.1225	0.1221
Schistosoma mansoni	nuclear receptor	0.0039	0.013	0.0126
Brugia malayi	nuclear hormone receptor	0.0083	0.0515	0.1015
Plasmodium vivax	flap endonuclease 1, putative	0.0025	0.0007	0.0427
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1574	0.6258
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0166	0.0327
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0043	0.0165	0.0158
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0606	0.5079	0.5076
Brugia malayi	ecdysone receptor	0.0039	0.013	0.0256
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0083	0.0515	0.1015
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0039	0.013	0.0123
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0083	0.0515	0.0529
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0083	0.0515	0.1015
Echinococcus granulosus	thyroid hormone receptor alpha	0.0039	0.013	0.0123
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0083	0.0515	0.0512
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0083	0.0515	0.0512
Schistosoma mansoni	nuclear hormone receptor	0.0039	0.013	0.0126
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0324	0.033
Trichomonas vaginalis	glucosylceramidase, putative	0.0205	0.1574	0.6258
Schistosoma mansoni	hypothetical protein	0.0035	0.0091	0.0088
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0083	0.0515	0.0512

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0294 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 0.631 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	1.122 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	4.1475 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 10 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1598606

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1446348