TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 440.535 | Formula: C24H32N4O4
H donors: 5 H acceptors: 4 LogP: 1.53 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)N[C@@H](C(=O)NCC(NC(=O)C(Cc1ccc(cc1)O)N)(C)C)Cc1ccccc1
InChi: 1S/C24H32N4O4/c1-16(29)27-21(14-17-7-5-4-6-8-17)23(32)26-15-24(2,3)28-22(31)20(25)13-18-9-11-19(30)12-10-18/h4-12,20-21,30H,13-15,25H2,1-3H3,(H,26,32)(H,27,29)(H,28,31)/t20?,21-/m1/s1
InChiKey: RHJLFEXXEGOUHX-BPGUCPLFSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1939	0.1904
Toxoplasma gondii	deoxyhypusine synthase	0.007	0.0699	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1939	0.1904
Loa Loa (eye worm)	hypothetical protein	0.045	0.9331	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0264	0.5103	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0264	0.5103	0.537
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0078	0.0874	0.0799
Loa Loa (eye worm)	hypothetical protein	0.0139	0.2277	0.2275
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0264	0.5103	1
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1939	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1939	0.1904
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0124	0.1939	0.2272
Mycobacterium tuberculosis	Probable oxidoreductase	0.0134	0.2149	1
Loa Loa (eye worm)	deoxyhypusine synthase	0.007	0.0699	0.0546
Brugia malayi	hypothetical protein	0.0139	0.2277	0.212
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0048	0.02	0.0392
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0124	0.1939	0.2218
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0264	0.5103	0.537
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0078	0.0874	0.0799
Brugia malayi	conserved hypotetical protein	0.0124	0.1939	0.1774
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1939	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0264	0.5103	0.537
Schistosoma mansoni	thyroid hormone receptor	0.0264	0.5103	1
Schistosoma mansoni	cytochrome P450 reductase	0.0078	0.0874	0.1712
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0124	0.1939	0.2272
Loa Loa (eye worm)	nuclear hormone receptor	0.0124	0.1939	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1939	0.1904
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0264	0.5103	0.6406
Entamoeba histolytica	deoxyhypusine synthase, putative	0.007	0.0699	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0264	0.5103	0.6406
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0264	0.5103	0.5003
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0134	0.2149	1
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0078	0.0874	0.0738
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0124	0.1939	0.3799
Schistosoma mansoni	nuclear receptor nhr-48	0.0124	0.1939	0.3799
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.012	0.1844	0.8342
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0124	0.1939	0.2218
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.012	0.1844	0.8342
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0264	0.5103	0.537
Schistosoma mansoni	vesicular acetylcholine transporter	0.0218	0.4065	0.7966
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0264	0.5103	0.5003
Loa Loa (eye worm)	glutathione reductase	0.0053	0.031	0.0121
Trypanosoma cruzi	p450 reductase, putative	0.0078	0.0874	0.0799
Loa Loa (eye worm)	hypothetical protein	0.0139	0.2277	0.2275
Leishmania major	p450 reductase, putative	0.0078	0.0874	0.0799
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0264	0.5103	0.5003
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0264	0.5103	0.6406
Brugia malayi	hypothetical protein	0.0139	0.2277	0.212
Loa Loa (eye worm)	hypothetical protein	0.0186	0.3329	0.3426
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0124	0.1939	0.2272
Brugia malayi	ecdysone receptor	0.0124	0.1939	0.1774
Echinococcus multilocularis	FTZ F1 alpha	0.0264	0.5103	0.6406
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0078	0.0874	0.088
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1939	0.1904
Echinococcus multilocularis	nischarin	0.0385	0.7853	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.012	0.1844	0.8342
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0264	0.5103	0.6406
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0078	0.0874	0.0799
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0264	0.5103	0.6406
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0078	0.0874	0.088
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0124	0.1939	0.2272
Trichomonas vaginalis	sulfite reductase, putative	0.0078	0.0874	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0124	0.1939	0.2272
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0264	0.5103	1
Onchocerca volvulus	Bile acid receptor homolog	0.0264	0.5103	0.6531
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0124	0.1939	0.2272
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0264	0.5103	0.5003
Brugia malayi	nuclear hormone receptor	0.0264	0.5103	0.5003
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0264	0.5103	0.5003
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0264	0.5103	0.537
Onchocerca volvulus		0.0124	0.1939	0.2218
Schistosoma mansoni	nuclear receptor	0.0124	0.1939	0.3799
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0124	0.1939	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1939	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0264	0.5103	0.537
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0363	0.7361	1
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0078	0.0874	0.5
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1939	0.1904
Loa Loa (eye worm)	hypothetical protein	0.0264	0.5103	0.537
Brugia malayi	nuclear hormone receptor	0.0124	0.1939	0.1774
Schistosoma mansoni	RAR-like nuclear receptor	0.0264	0.5103	1
Loa Loa (eye worm)	hypothetical protein	0.0376	0.7652	0.8161
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0264	0.5103	0.6406
Leishmania major	deoxyhypusine synthase, putative	0.007	0.0699	0.0551
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0053	0.031	0.0144
Loa Loa (eye worm)	hypothetical protein	0.0139	0.2277	0.2275
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0264	0.5103	0.6406
Brugia malayi	glutathione reductase	0.0053	0.031	0.0112
Brugia malayi	FAD binding domain containing protein	0.0078	0.0874	0.0687
Schistosoma mansoni	zinc finger protein	0.0124	0.1939	0.3799
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0124	0.1939	0.3799
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0078	0.0874	0.088
Loa Loa (eye worm)	hypothetical protein	0.0264	0.5103	0.537
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0134	0.2149	1
Echinococcus multilocularis	vesicular acetylcholine transporter	0.0218	0.4065	0.505
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0139	0.2277	0.2275
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0124	0.1939	0.2272
Brugia malayi	tailless protein	0.0124	0.1939	0.1774
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0264	0.5103	1
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0078	0.0874	0.0799
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0124	0.1939	0.2272
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0078	0.0874	1
Onchocerca volvulus		0.0264	0.5103	0.6531
Brugia malayi	hypothetical protein	0.0376	0.7652	0.7604
Loa Loa (eye worm)	thioredoxin reductase	0.0053	0.031	0.0121
Echinococcus granulosus	survival motor neuron protein 1	0.0259	0.4988	0.6256
Schistosoma mansoni	coup transcription factor	0.0264	0.5103	1
Brugia malayi	deoxyhypusine synthase	0.007	0.0699	0.0509
Plasmodium vivax	flavodoxin domain containing protein	0.0069	0.0673	0.6446
Loa Loa (eye worm)	hypothetical protein	0.0264	0.5103	0.537
Brugia malayi	nuclear receptor RXR	0.0124	0.1939	0.1774
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0264	0.5103	0.5003
Chlamydia trachomatis	sulfite reductase	0.0048	0.02	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0264	0.5103	0.5003
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0874	0.0738
Brugia malayi	flavodoxin family protein	0.0078	0.0874	0.0687
Brugia malayi	ecdysteroid receptor	0.0264	0.5103	0.5003
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0139	0.2277	0.4463
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0124	0.1939	0.1774
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0363	0.7361	1
Brugia malayi	Steroid receptor seven-up type 2	0.0264	0.5103	0.5003
Brugia malayi	hypothetical protein	0.0124	0.1939	0.1774
Brugia malayi	hypothetical protein	0.0259	0.4988	0.4886
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0139	0.2277	0.4463
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0264	0.5103	1
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0078	0.0874	0.088
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.012	0.1844	0.8342
Loa Loa (eye worm)	hypothetical protein	0.0264	0.5103	0.537
Loa Loa (eye worm)	steroid hormone receptor	0.0264	0.5103	0.537
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0124	0.1939	0.2272
Brugia malayi	Nuclear hormone receptor E75	0.0124	0.1939	0.1774
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0264	0.5103	0.5003
Loa Loa (eye worm)	hypothetical protein	0.0139	0.2277	0.2275
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0053	0.0311	0.0113
Echinococcus granulosus	ecdysone induced protein 78C	0.0264	0.5103	0.6406
Echinococcus granulosus	thyroid hormone receptor alpha	0.0124	0.1939	0.2272
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0134	0.2149	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0264	0.5103	0.6406
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.012	0.1844	0.8342
Echinococcus multilocularis	survival motor neuron protein 1	0.0259	0.4988	0.6256
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0124	0.1939	0.1904
Mycobacterium tuberculosis	Probable reductase	0.012	0.1844	0.8342
Brugia malayi	Nuclear hormone receptor-like 1	0.0139	0.2277	0.212
Trichomonas vaginalis	deoxyhypusine synthase, putative	0.007	0.0699	0.1271
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1939	0.1904
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0124	0.1939	0.1774
Brugia malayi	Nuclear hormone receptor-like 1	0.0139	0.2277	0.212
Brugia malayi	Thioredoxin reductase	0.0053	0.031	0.0112
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0264	0.5103	0.6406
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0078	0.0874	0.0799
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0078	0.0874	0.0799
Schistosoma mansoni	nuclear hormone receptor	0.0124	0.1939	0.3799
Leishmania major	C-8 sterol isomerase-like protein	0.0363	0.7361	1
Brugia malayi	vesicular acetylcholine transporter unc-17	0.0218	0.4065	0.3944
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0264	0.5103	0.5003
Echinococcus multilocularis	nuclear receptor nhr 48	0.0124	0.1939	0.2272
Brugia malayi	orphan nuclear receptor NR2E1	0.0124	0.1939	0.1774
Brugia malayi	nuclear receptor NHR-88	0.0124	0.1939	0.1774
Plasmodium vivax	deoxyhypusine synthase, putative	0.007	0.0699	0.6898
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0264	0.5103	1
Echinococcus granulosus	FTZ F1 alpha	0.0264	0.5103	0.6406
Echinococcus granulosus	nischarin	0.0385	0.7853	1
Leishmania major	cytochrome P450 reductase, putative	0.0069	0.0673	0.0515
Loa Loa (eye worm)	hypothetical protein	0.0363	0.7361	0.7843
Echinococcus granulosus	vesicular acetylcholine transporter	0.0218	0.4065	0.505
Loa Loa (eye worm)	hypothetical protein	0.0259	0.4988	0.5244
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0264	0.5103	0.6406
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0139	0.2277	0.2714
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0264	0.5103	0.6406
Echinococcus granulosus	thioredoxin glutathione reductase	0.0053	0.031	0.0144
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0264	0.5103	0.5003
Brugia malayi	nuclear receptor RXR	0.0139	0.2277	0.212
Onchocerca volvulus	Protein ultraspiracle homolog	0.0264	0.5103	0.6531
Loa Loa (eye worm)	hypothetical protein	0.0264	0.5103	0.537
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0264	0.5103	0.537
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0264	0.5103	0.6406
Echinococcus multilocularis	deoxyhypusine synthase	0.007	0.0699	0.0652
Brugia malayi	photoreceptor-specific nuclear receptor	0.0264	0.5103	0.5003
Plasmodium falciparum	nitric oxide synthase, putative	0.0078	0.0874	1
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.0363	0.7361	0.7307
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0264	0.5103	0.5003
Onchocerca volvulus		0.0124	0.1939	0.2218
Brugia malayi	nuclear receptor NHR-88	0.0264	0.5103	0.5003
Schistosoma mansoni	nuclear hormone receptor	0.0264	0.5103	1
Loa Loa (eye worm)	hypothetical protein	0.0139	0.2277	0.2275
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1939	0.1904
Echinococcus granulosus	deoxyhypusine synthase	0.007	0.0699	0.0652
Brugia malayi	steroid hormone receptor	0.0264	0.5103	0.5003
Brugia malayi	nuclear receptor NHR-67	0.0124	0.1939	0.1774
Schistosoma mansoni	survival motor neuron protein	0.0053	0.0311	0.061
Schistosoma mansoni	thyroid hormone receptor	0.0264	0.5103	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0124	0.1939	0.1774
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1939	0.1904
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0264	0.5103	0.6406
Giardia lamblia	Deoxyhypusine synthase, putative	0.007	0.0699	1
Trypanosoma cruzi	deoxyhypusine synthase, putative	0.007	0.0699	0.0551
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1939	0.1904
Echinococcus multilocularis	ecdysone induced protein 78C	0.0264	0.5103	0.6406
Loa Loa (eye worm)	hypothetical protein	0.0264	0.5103	0.537
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0264	0.5103	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0124	0.1939	0.2272
Entamoeba histolytica	deoxyhypusine synthase, putative	0.007	0.0699	0.5
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.0218	0.4065	0.4233
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0264	0.5103	0.5003
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0264	0.5103	0.6531
Schistosoma mansoni	nuclear receptor	0.0124	0.1939	0.3799
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0264	0.5103	0.537
Schistosoma mansoni	deoxyhypusine synthase	0.007	0.0699	0.137
Brugia malayi	hypothetical protein	0.0124	0.1939	0.1774
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0078	0.0874	0.0799
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0264	0.5103	0.537
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0139	0.2277	0.2714
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0078	0.0874	0.0799
Loa Loa (eye worm)	DR-78	0.0124	0.1939	0.1904
Schistosoma mansoni	hypothetical protein	0.0053	0.0311	0.061
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0264	0.5103	0.5003
Brugia malayi	Dopamine receptor protein 1	0.045	0.9331	0.9317
Plasmodium falciparum	deoxyhypusine synthase	0.007	0.0699	0.6898
Schistosoma mansoni	nuclear hormone receptor	0.0124	0.1939	0.3799
Schistosoma mansoni	retinoic acid receptor RXR	0.0264	0.5103	1
Trypanosoma brucei	deoxyhypusine synthase	0.007	0.0699	0.0551
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.0218	0.4065	0.5117
Brugia malayi	Nuclear hormone receptor E75	0.0124	0.1939	0.1774
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0264	0.5103	0.6406
Onchocerca volvulus	Nischarin homolog	0.0376	0.7648	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0264	0.5103	0.5003

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 43.5 %	Percentage inhibition of compound against morphine at 10 e-7 M in guinea pig ileum tissue	ChEMBL.	2754695
Inhibition (functional)	= 91.5 %	Ability to display a naloxone-reversible inhibition of electrically induced contractions in GPI in the presence of 1.0 microM bestatin at concentration 10 e-6 M	ChEMBL.	2754695
Ke (functional)	= 4.2 nM	Inhibitory activity in guinea pig ileum tissue in the absence and presence of 10 nM naloxone	ChEMBL.	2754695
Relative potency (functional)	= 21.2	Ability to display a naloxone-reversible inhibition of electrically induced contractions in GPI by Morphine at 0.1 microM	ChEMBL.	2754695

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: CHEMBL45508

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 69795