TDR Targets

Basic information

Technical information

TDR Targets ID: 303250
Name: (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl) -N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan- 2-yl]-N-prop-2-enylpropanamide
MW: 437.574 | Formula: C26H35N3O3
H donors: 3 H acceptors: 3 LogP: 3.88 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: C=CCN(C(=O)[C@H](Cc1c(C)cc(cc1C)O)N)[C@@H](C(=O)NCCCc1ccccc1)C
InChi: 1S/C26H35N3O3/c1-5-14-29(20(4)25(31)28-13-9-12-21-10-7-6-8-11-21)26(32)24(27)17-23-18(2)15-22(30)16-19(23)3/h5-8,10-11,15-16,20,24,30H,1,9,12-14,17,27H2,2-4H3,(H,28,31)/t20-,24+/m1/s1
InChiKey: JJTYOLGLWKRDFD-YKSBVNFPSA-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

(2S)-N-allyl-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(1R)-1-methyl-2-oxo-2-(3-phenylpropylamino)ethyl]propanamide
(2S)-N-allyl-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(1R)-1-methyl-2-oxo-2-(3-phenylpropylamino)ethyl]propanamide
(2S)-2-azanyl-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-N-prop-2-enyl-propanamide
(2S)-N-allyl-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(1R)-2-keto-1-methyl-2-(3-phenylpropylamino)ethyl]propionamide
(2S)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-N-[(2R)-1-oxo-1-(3-phenylpropylamino)propan-2-yl]-N-prop-2-enyl-propanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Rattus norvegicus	Opioid receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	thyrotropin releasing hormone receptor	Opioid receptor	372 aa	330 aa	24.5 %
Onchocerca volvulus		Opioid receptor	372 aa	353 aa	21.0 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Opioid receptor	372 aa	315 aa	28.6 %
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	Opioid receptor	372 aa	331 aa	21.4 %
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	Opioid receptor	372 aa	366 aa	22.7 %
Echinococcus multilocularis	allatostatin A receptor	Opioid receptor	372 aa	302 aa	28.5 %
Brugia malayi	ORL1-like opioid receptor	Opioid receptor	372 aa	300 aa	24.7 %
Onchocerca volvulus		Opioid receptor	372 aa	344 aa	22.1 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Opioid receptor	372 aa	353 aa	29.2 %
Echinococcus granulosus	allatostatin A receptor	Opioid receptor	372 aa	302 aa	27.8 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Opioid receptor	372 aa	320 aa	25.6 %
Brugia malayi	GnHR receptor homolog	Opioid receptor	372 aa	313 aa	18.5 %
Loa Loa (eye worm)	neuropeptide F receptor	Opioid receptor	372 aa	317 aa	23.3 %
Echinococcus multilocularis	thyrotropin releasing hormone receptor	Opioid receptor	372 aa	330 aa	24.2 %
Onchocerca volvulus		Opioid receptor	372 aa	386 aa	22.8 %
Onchocerca volvulus		Opioid receptor	372 aa	316 aa	26.9 %
Echinococcus granulosus	tm gpcr rhodopsin	Opioid receptor	372 aa	334 aa	22.5 %
Onchocerca volvulus		Opioid receptor	372 aa	349 aa	22.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	dehydrogenases, short chain protein 2	0.0045	0.013	0.0095
Mycobacterium tuberculosis	Probable short-chain dehydrogenase/reductase	0.0045	0.013	0.5
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0217	0.1976	0.2043
Schistosoma mansoni	jumonji domain containing protein	0.0081	0.0516	0.0502
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0045	0.013	0.5
Loa Loa (eye worm)	oxidoreductase	0.0045	0.013	0.0136
Echinococcus multilocularis	conserved hypothetical protein	0.0045	0.013	0.0081
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0045	0.013	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0045	0.013	0.5
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0045	0.013	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0045	0.013	0.0136
Onchocerca volvulus		0.0045	0.013	0.9987
Loa Loa (eye worm)	oxidoreductase	0.0045	0.013	0.0136
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0045	0.013	0.0081
Mycobacterium tuberculosis	Possible ketoacyl reductase	0.0045	0.013	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0045	0.013	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.013	0.0126
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0053	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0045	0.013	0.0136
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0217	0.1976	1
Brugia malayi	Dehydrogenases, short chain protein 2	0.0045	0.013	0.0095
Mycobacterium tuberculosis	Probable dehydrogenase	0.0045	0.013	0.5
Entamoeba histolytica	short chain dehydrogenase family protein	0.0045	0.013	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0045	0.013	0.0081
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.013	0.0126
Giardia lamblia	Reductase, putative	0.0045	0.013	0.5
Brugia malayi	hypothetical protein	0.0045	0.013	0.0095
Echinococcus granulosus	jumonji domain containing protein	0.0043	0.0113	0.0064
Echinococcus multilocularis	carbonyl reductase 1	0.0045	0.013	0.0081
Schistosoma mansoni	carbonyl reductase	0.0045	0.013	0.0095
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Loa Loa (eye worm)	dehydrogenase	0.0045	0.013	0.0136
Echinococcus granulosus	hypothetical protein	0.0045	0.013	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0045	0.013	0.0136
Echinococcus multilocularis	jumonji domain containing protein	0.0043	0.0113	0.0064
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0045	0.013	0.0081
Echinococcus granulosus	carbonyl reductase 1	0.0045	0.013	0.0081
Brugia malayi	oxidoreductase	0.0045	0.013	0.0095
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0045	0.013	0.5
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0045	0.013	0.5
Onchocerca volvulus		0.0045	0.013	0.9987
Schistosoma mansoni	dihydropteridine reductase	0.0923	0.9521	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.013	0.0126
Onchocerca volvulus		0.0045	0.013	0.9987
Brugia malayi	glutaminase DH11.1	0.0291	0.2766	0.2876
Trichomonas vaginalis	chromobox protein, putative	0.0074	0.0445	0.1307
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0045	0.013	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.013	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0045	0.013	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0045	0.013	0.0136
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0045	0.013	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0045	0.013	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0045	0.013	0.0081
Echinococcus granulosus	chromobox protein 1	0.0074	0.0445	0.0414
Onchocerca volvulus	Sepiapterin reductase homolog	0.0045	0.013	0.9987
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0217	0.1976	0.1871
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.013	0.0095
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0102	0.0739	0.0725
Brugia malayi	Dehydrogenases, short chain protein 30	0.0045	0.013	0.0095
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.013	0.0095
Echinococcus granulosus	retinol dehydrogenase 11	0.0045	0.013	0.0081
Mycobacterium tuberculosis	Possible short-chain dehydrogenase EphD	0.0045	0.013	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0045	0.013	0.9987
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0045	0.013	0.5
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0045	0.013	0.9987
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0045	0.013	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.013	0.0095
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0045	0.013	0.5
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0045	0.013	0.0126
Plasmodium vivax	steroid dehydrogenase, putative	0.0045	0.013	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Trichomonas vaginalis	glutaminase, putative	0.0291	0.2766	1
Brugia malayi	chromobox protein homolog 3	0.0042	0.0096	0.006
Loa Loa (eye worm)	glutaminase	0.0291	0.2766	0.2906
Echinococcus granulosus	carbonyl reductase 1	0.0045	0.013	0.0081
Echinococcus granulosus	WW domain containing oxidoreductase	0.0045	0.013	0.0081
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Onchocerca volvulus		0.0045	0.013	0.9987
Echinococcus multilocularis	carbonyl reductase 1	0.0045	0.013	0.0081
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0045	0.013	0.0095
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Onchocerca volvulus		0.0045	0.013	0.9987
Mycobacterium ulcerans	glutaminase	0.0291	0.2766	1
Schistosoma mansoni	carbonyl reductase	0.0045	0.013	0.0095
Echinococcus multilocularis	transient receptor potential cation channel	0.0045	0.013	0.0081
Entamoeba histolytica	hypothetical protein, conserved	0.0045	0.013	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.013	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.013	0.0136
Echinococcus multilocularis	retinol dehydrogenase 13	0.0045	0.013	0.0081
Loa Loa (eye worm)	oxidoreductase	0.0045	0.013	0.0136
Leishmania major	quinonoid dihydropteridine reductase	0.0968	1	1
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Echinococcus granulosus	hypothetical protein	0.0045	0.013	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0219	0.023
Onchocerca volvulus		0.0045	0.013	0.9987
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Schistosoma mansoni	retinal dehydrogenase	0.0045	0.013	0.0095
Loa Loa (eye worm)	oxidoreductase	0.0045	0.013	0.0136
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.013	0.0127
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0045	0.013	0.0081
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0045	0.013	0.0081
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0045	0.013	0.5
Loa Loa (eye worm)	oxidoreductase	0.0045	0.013	0.0136
Echinococcus multilocularis	retinol dehydrogenase 11	0.0045	0.013	0.0081
Entamoeba histolytica	hypothetical protein	0.0045	0.013	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Onchocerca volvulus		0.0045	0.013	0.9987
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0045	0.013	0.0081
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0045	0.013	0.0081
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0045	0.013	0.5
Mycobacterium tuberculosis	Probable shortchain dehydrogenase	0.0045	0.013	0.5
Echinococcus granulosus	chromobox protein 1	0.0074	0.0445	0.0414
Echinococcus multilocularis	chromobox protein 1	0.0074	0.0445	0.0414
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0053	0.0015
Echinococcus multilocularis	carbonyl reductase 1	0.0045	0.013	0.0081
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Echinococcus granulosus	oxidoreductase	0.0045	0.013	0.0081
Echinococcus granulosus	NADP binding domain	0.0923	0.9521	1
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0045	0.013	0.0136
Loa Loa (eye worm)	oxidoreductase	0.0045	0.013	0.0136
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0219	0.023
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0045	0.013	0.0095
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.013	0.0126
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0045	0.013	0.0126
Loa Loa (eye worm)	hypothetical protein	0.0045	0.013	0.0136
Mycobacterium tuberculosis	Possible iron-regulated short-chain dehydrogenase/reductase	0.0045	0.013	0.5
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0102	0.0739	0.0725
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0045	0.013	0.0081
Leishmania major	quinonoid dihydropteridine reductase	0.0968	1	1
Schistosoma mansoni	chromobox protein	0.0074	0.0445	0.0428
Loa Loa (eye worm)	oxidoreductase	0.0045	0.013	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0221	0.0232
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.013	0.0126
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.013	0.0095
Toxoplasma gondii	6,7-dihydropteridine reductase	0.0923	0.9521	1
Brugia malayi	jmjC domain containing protein	0.0102	0.0739	0.0738
Leishmania major	quinonoid dihydropteridine reductase	0.0968	1	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0045	0.013	0.0095
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.013	0.0095
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0968	1	1
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.013	0.0126
Mycobacterium tuberculosis	Probable oxidoreductase	0.0045	0.013	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.013	0.0136
Echinococcus multilocularis	carbonyl reductase 1	0.0045	0.013	0.0081
Leishmania major	quinonoid dihydropteridine reductase	0.0968	1	1
Mycobacterium tuberculosis	Probable short-chain type oxidoreductase	0.0045	0.013	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0045	0.013	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.013	0.5
Giardia lamblia	Hypothetical protein	0.0045	0.013	0.5
Echinococcus multilocularis	oxidoreductase	0.0045	0.013	0.0081
Leishmania major	quinonoid dihydropteridine reductase	0.0968	1	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.013	0.5
Leishmania major	C-8 sterol isomerase-like protein	0.0217	0.1976	0.1871
Loa Loa (eye worm)	hypothetical protein	0.0045	0.013	0.0136
Echinococcus granulosus	carbonyl reductase 1	0.0045	0.013	0.0081
Onchocerca volvulus		0.0045	0.013	0.9987
Mycobacterium tuberculosis	Probable oxidoreductase	0.0045	0.013	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0045	0.013	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0045	0.013	0.9987
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0053	0.0056
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Loa Loa (eye worm)	glutaminase 2	0.0291	0.2766	0.2906
Brugia malayi	hypothetical protein	0.0045	0.013	0.0095
Mycobacterium leprae	Probable oxidoreductase	0.0045	0.013	0.5
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0045	0.013	0.0095
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Mycobacterium tuberculosis	Probable oxidoreductase	0.0045	0.013	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0045	0.013	0.0136
Brugia malayi	jmjC domain containing protein	0.0038	0.0053	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0217	0.1976	0.2076
Echinococcus multilocularis	NAD(P) binding domain	0.0923	0.9521	1
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0045	0.013	0.0095
Brugia malayi	Heterochromatin protein 1	0.0074	0.0445	0.0428
Onchocerca volvulus		0.0045	0.013	0.9987
Onchocerca volvulus		0.0045	0.013	0.9987
Echinococcus granulosus	steroid dehydrogenase	0.0045	0.013	0.0081
Brugia malayi	dihydropteridine reductase-like	0.0923	0.9521	1
Onchocerca volvulus		0.0045	0.013	0.9987
Schistosoma mansoni	chromobox protein	0.0074	0.0445	0.0428
Onchocerca volvulus		0.0045	0.013	0.9987
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0219	0.019
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.013	0.0095
Mycobacterium tuberculosis	Decaprenylphosphoryl-D-2-keto erythro pentose reductase	0.0045	0.013	0.5
Brugia malayi	dehydrogenases, short chain protein 9	0.0045	0.013	0.0095
Loa Loa (eye worm)	heterochromatin protein 1	0.0074	0.0445	0.0467
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.013	0.0126
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0096	0.7399
Plasmodium falciparum	steroid dehydrogenase, putative	0.0045	0.013	0.5
Echinococcus multilocularis	steroid dehydrogenase	0.0045	0.013	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0096	0.0101
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0045	0.013	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.013	0.0095
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0045	0.013	0.0081
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Loa Loa (eye worm)	oxidoreductase	0.0045	0.013	0.0136
Loa Loa (eye worm)	dihydropteridine reductase-PC	0.0923	0.9521	1
Loa Loa (eye worm)	oxidoreductase	0.0045	0.013	0.0136
Onchocerca volvulus		0.0045	0.013	0.9987
Trichomonas vaginalis	chromobox protein, putative	0.0045	0.013	0.0127
Mycobacterium tuberculosis	Possible fatty acyl-CoA reductase	0.0045	0.013	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.013	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.013	0.0095
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0045	0.013	0.0126
Entamoeba histolytica	hypothetical protein, conserved	0.0045	0.013	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0045	0.013	0.5
Mycobacterium tuberculosis	Probable short chain alcohol dehydrogenase/reductase	0.0045	0.013	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.013	0.0136
Echinococcus multilocularis	chromobox protein 1	0.0074	0.0445	0.0414
Loa Loa (eye worm)	dehydrogenase	0.0045	0.013	0.0136
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Mycobacterium tuberculosis	Possible multi-functional enzyme with acyl-CoA-reductase activity AcrA1	0.0045	0.013	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.013	0.0095
Echinococcus granulosus	retinol dehydrogenase 11	0.0045	0.013	0.0081
Giardia lamblia	Short-chain dehydrogenase, putative	0.0045	0.013	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0064	0.0337	0.0354
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0045	0.013	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Leishmania major	quinonoid dihydropteridine reductase	0.0968	1	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.013	0.5
Brugia malayi	Retinol dehydrogenase 12	0.0045	0.013	0.0095
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0039	0.0041
Schistosoma mansoni	short chain dehydrogenase	0.0045	0.013	0.0095
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0045	0.013	0.5
Mycobacterium tuberculosis	Possible oxidoreductase	0.0045	0.013	0.5
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0045	0.013	0.0126
Schistosoma mansoni	steroid dehydrogenase	0.0045	0.013	0.0095
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0045	0.013	0.0095
Entamoeba histolytica	short chain dehydrogenase family protein	0.0045	0.013	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0045	0.013	0.5
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0045	0.013	0.0126
Schistosoma mansoni	carbonyl reductase	0.0045	0.013	0.0095
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0045	0.013	0.0095
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0045	0.013	0.0081
Loa Loa (eye worm)	hypothetical protein	0.0045	0.013	0.0136
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0045	0.013	0.5
Schistosoma mansoni	glutaminase	0.0291	0.2766	0.2876
Trichomonas vaginalis	chromobox protein, putative	0.0074	0.0445	0.1307
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0045	0.013	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0219	0.019

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	mg kg-1	Effective dose administered intragastricly in mouse writhing assay; No significant inhibition at 10 mg/kg, the highest dose tested	ChEMBL.	7908696
ED50 (functional)	mg kg-1	Effective dose of the compound administered subcutaneously in mouse writhing assay; not significant	ChEMBL.	7908696
ED50 (functional)	0 mg kg-1	Effective dose of the compound administered subcutaneously in mouse writhing assay; not significant	ChEMBL.	7908696
ED50 (functional)	0 mg kg-1	Effective dose administered intragastricly in mouse writhing assay; No significant inhibition at 10 mg/kg, the highest dose tested	ChEMBL.	7908696
IC50 (binding)	= 280 nM	Affinity for the opioid receptor by displacement of tritiated naloxone from rat brain membranes.	ChEMBL.	7908696
IC50 (binding)	= 280 nM	Affinity for the opioid receptor by displacement of tritiated naloxone from rat brain membranes.	ChEMBL.	7908696

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: CHEMBL174125
PubChem: 10365811

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 303250