TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 397.466 | Formula: C19H31N3O6
H donors: 3 H acceptors: 5 LogP: 1.31 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@H]([C@H](C(=O)N1CCC[C@@H]1C(=O)O)NC(=O)[C@@H]1O[C@@H]1C(=O)NCC(C)C)C
InChi: 1S/C19H31N3O6/c1-5-11(4)13(18(25)22-8-6-7-12(22)19(26)27)21-17(24)15-14(28-15)16(23)20-9-10(2)3/h10-15H,5-9H2,1-4H3,(H,20,23)(H,21,24)(H,26,27)/t11?,12-,13-,14-,15-/m0/s1
InChiKey: HXRQFZARHUWLAH-RQLZCWDZSA-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
Trypanosoma cruzi	cysteine peptidase, putative	0.0032	0.0025	0.0066
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.006	0.0104	0.0271
Schistosoma mansoni	cercarial elastase (S01 family)	0.0143	0.034	0.034
Echinococcus granulosus	cathepsin b	0.0171	0.042	0.042
Onchocerca volvulus	Cathepsin L homolog	0.0032	0.0025	0.0745
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0324	0.0855	0.1842
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0324	0.0855	0.2165
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0032	0.0025	0.5
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.006	0.0104	0.0254
Loa Loa (eye worm)	hypothetical protein	0.0143	0.034	0.034
Brugia malayi	Cytochrome P450 family protein	0.0324	0.0855	0.0855
Entamoeba histolytica	cysteine proteinase, putative	0.0032	0.0025	1
Trypanosoma cruzi	Aph-1 protein, putative	0.1379	0.3857	1
Brugia malayi	Cathepsin L-like precursor	0.0032	0.0025	0.0025
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0032	0.0025	0.0025
Brugia malayi	Trypsin-like protease protein 5	0.0143	0.034	0.034
Trypanosoma cruzi	cysteine peptidase, putative	0.0032	0.0025	0.0066
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.1125	0.3134	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0324	0.0855	0.2217
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0171	0.042	0.042
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0324	0.0855	0.5
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0143	0.034	0.034
Schistosoma mansoni	cercarial elastase (S01 family)	0.0143	0.034	0.034
Loa Loa (eye worm)	hypothetical protein	0.0143	0.034	0.034
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0324	0.0855	0.5
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0143	0.034	0.0316
Schistosoma mansoni	cytochrome P450	0.0324	0.0855	0.0855
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0032	0.0025	0.243
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0143	0.034	0.034
Onchocerca volvulus	Cathepsin L homolog	0.0032	0.0025	0.0745
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0324	0.0855	0.5
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0324	0.0855	0.1842
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0032	0.0025	0.243
Trypanosoma brucei	cytochrome P450, putative	0.1125	0.3134	0.8113
Loa Loa (eye worm)	cytochrome P450 family protein	0.1125	0.3134	0.3134
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0025	0.0025
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0324	0.0855	0.5
Loa Loa (eye worm)	cathepsin B	0.006	0.0104	0.0104
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0143	0.034	0.034
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0324	0.0855	0.2217
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0324	0.0855	0.5
Onchocerca volvulus	Cathepsin F homolog	0.0032	0.0025	0.0745
Brugia malayi	Cathepsin L-like precursor	0.0032	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0801	0.2213	0.2213
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0032	0.0025	0.243
Loa Loa (eye worm)	hypothetical protein	0.0143	0.034	0.034
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0324	0.0855	0.5
Schistosoma mansoni	hypothetical protein	0.0143	0.034	0.034
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0171	0.042	0.042
Echinococcus granulosus	gamma secretase subunit aph 1	0.3538	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0324	0.0855	0.5
Echinococcus granulosus	sodium channel protein	0.0152	0.0368	0.0368
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0032	0.0025	0.243
Onchocerca volvulus		0.0143	0.034	1
Echinococcus granulosus	cathepsin b	0.0171	0.042	0.042
Brugia malayi	Trypsin family protein	0.0143	0.034	0.034
Mycobacterium leprae	Conserved hypothetical protein	0.0324	0.0855	0.5
Onchocerca volvulus		0.0032	0.0025	0.0745
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0324	0.0855	0.1842
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0032	0.0025	0.0025
Schistosoma mansoni	cercarial elastase (S01 family)	0.0143	0.034	0.034
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0143	0.034	0.0316
Loa Loa (eye worm)	cysteine protease	0.0032	0.0025	0.0025
Brugia malayi	Trypsin family protein	0.0143	0.034	0.034
Loa Loa (eye worm)	hypothetical protein	0.0143	0.034	0.034
Loa Loa (eye worm)	ctsf protein	0.0032	0.0025	0.0025
Brugia malayi	Cathepsin L-like precursor	0.0032	0.0025	0.0025
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.006	0.0104	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0032	0.0025	0.0066
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0324	0.0855	0.2669
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Echinococcus granulosus	cathepsin l1	0.0032	0.0025	0.0025
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Loa Loa (eye worm)	fibroinase	0.0032	0.0025	0.0025
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0324	0.0855	0.1842
Trypanosoma brucei	cysteine peptidase C (CPC)	0.006	0.0104	0.0206
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0032	0.0025	0.243
Entamoeba histolytica	cysteine proteinase, putative	0.0032	0.0025	1
Trypanosoma cruzi	cytochrome P450, putative	0.1125	0.3134	0.8126
Onchocerca volvulus		0.0143	0.034	1
Entamoeba histolytica	cysteine protease, putative	0.0032	0.0025	1
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0324	0.0855	0.1842
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0324	0.0855	0.1842
Echinococcus multilocularis	cathepsin b	0.0171	0.042	0.0396
Schistosoma mansoni	hypothetical protein	0.0324	0.0855	0.0855
Leishmania major	cytochrome p450-like protein	0.1125	0.3134	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.1125	0.3134	0.3134
Schistosoma mansoni	cercarial elastase (S01 family)	0.0143	0.034	0.034
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Onchocerca volvulus		0.0032	0.0025	0.0745
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0324	0.0855	0.5
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0171	0.042	0.109
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0032	0.0025	0.243
Schistosoma mansoni	cercarial elastase (S01 family)	0.0143	0.034	0.034
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0032	0.0025	0.243
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0324	0.0855	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0143	0.034	0.034
Echinococcus multilocularis	glycoprotein Antigen 5	0.0143	0.034	0.0316
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0324	0.0855	0.1842
Loa Loa (eye worm)	hypothetical protein	0.0143	0.034	0.034
Brugia malayi	Trypsin family protein	0.0143	0.034	0.034
Schistosoma mansoni	gamma-secretase subunit aph-1	0.3538	1	1
Onchocerca volvulus		0.0032	0.0025	0.0745
Schistosoma mansoni	cercarial elastase (S01 family)	0.0143	0.034	0.034
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0143	0.034	0.034
Echinococcus multilocularis	gamma secretase subunit aph 1	0.3538	1	1
Echinococcus granulosus	transmembrane protease serine 3	0.0143	0.034	0.034
Leishmania major	cytochrome p450-like protein	0.0324	0.0855	0.2669
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Onchocerca volvulus		0.0143	0.034	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0143	0.034	0.034
Schistosoma mansoni	cercarial elastase (S01 family)	0.0143	0.034	0.034
Brugia malayi	cytochrome P450	0.0324	0.0855	0.0855
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0032	0.0025	0.243
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0143	0.034	0.034
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Brugia malayi	Cytochrome P450 family protein	0.1125	0.3134	0.3134
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0143	0.034	0.034
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0032	0.0025	0.0025
Brugia malayi	Trypsin family protein	0.0143	0.034	0.034
Brugia malayi	cathepsin B-like cysteine proteinase	0.0171	0.042	0.042
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0324	0.0855	0.1842
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0324	0.0855	0.1842
Echinococcus multilocularis	Mastin	0.0143	0.034	0.0316
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0324	0.0855	0.1842
Echinococcus granulosus	glycoprotein Antigen 5	0.0143	0.034	0.034
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0324	0.0855	0.5
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.006	0.0104	0.0104
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0171	0.042	0.042
Echinococcus multilocularis	sodium channel protein	0.0152	0.0368	0.0343
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0324	0.0855	0.1842
Plasmodium vivax	vivapain-2	0.0032	0.0025	0.5
Loa Loa (eye worm)	hypothetical protein	0.0143	0.034	0.034
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0324	0.0855	0.5
Brugia malayi	Cathepsin L-like precursor	0.0032	0.0025	0.0025
Leishmania major	cytochrome p450-like protein	0.0324	0.0855	0.2669
Loa Loa (eye worm)	hypothetical protein	0.0143	0.034	0.034
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0324	0.0855	0.1842
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Brugia malayi	Cytochrome P450 family protein	0.1125	0.3134	0.3134
Giardia lamblia	Cathepsin B precursor	0.006	0.0104	0.5
Onchocerca volvulus		0.0143	0.034	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0143	0.034	0.034
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0032	0.0025	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0324	0.0855	0.5
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0324	0.0855	0.5
Giardia lamblia	Cathepsin B precursor	0.006	0.0104	0.5
Echinococcus granulosus	cytochrome P450 2K1	0.0324	0.0855	0.0855
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0324	0.0855	0.1842
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0032	0.0025	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0324	0.0855	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0324	0.0855	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0324	0.0855	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0032	0.0025	0.0025
Loa Loa (eye worm)	gamma-secretase subunit aph-1	0.3538	1	1
Giardia lamblia	Cathepsin B precursor	0.006	0.0104	0.5
Toxoplasma gondii	cathepsin B	0.006	0.0104	0.0952
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0032	0.0025	0.243
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Trypanosoma cruzi	cytochrome P450, putative	0.1125	0.3134	0.8126
Onchocerca volvulus		0.0032	0.0025	0.0745
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0324	0.0855	0.5
Plasmodium vivax	vivapain-2	0.0032	0.0025	0.5
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0324	0.0855	0.1842
Mycobacterium leprae	putative cytochrome p450	0.0324	0.0855	0.5
Echinococcus granulosus	enteropeptidase	0.0143	0.034	0.034
Brugia malayi	Cytochrome P450 family protein	0.0324	0.0855	0.0855
Echinococcus multilocularis		0.0324	0.0855	0.0832
Trypanosoma cruzi	cysteine peptidase, putative	0.0032	0.0025	0.0066
Schistosoma mansoni	cathepsin F (C01 family)	0.0032	0.0025	0.0025
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0143	0.034	0.034
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0324	0.0855	0.5
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0032	0.0025	0.0025
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0324	0.0855	0.1842
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0324	0.0855	0.1842
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0324	0.0855	0.5
Trypanosoma cruzi	Aph-1 protein, putative	0.1379	0.3857	1
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0152	0.0368	0.1101
Loa Loa (eye worm)	cytochrome P450 family protein	0.0324	0.0855	0.0855
Schistosoma mansoni	cercarial elastase (S01 family)	0.0143	0.034	0.034
Loa Loa (eye worm)	cytochrome P450	0.0324	0.0855	0.0855
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0324	0.0855	0.5
Onchocerca volvulus		0.0143	0.034	1
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0324	0.0855	1
Echinococcus multilocularis	transmembrane protease serine 3	0.0143	0.034	0.0316
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0324	0.0855	0.2217
Onchocerca volvulus		0.0032	0.0025	0.0745
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0171	0.042	0.042
Trypanosoma cruzi	cruzipain precursor, putative	0.0032	0.0025	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0171	0.042	0.042
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0143	0.034	0.034
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Brugia malayi	Cathepsin L-like precursor	0.0032	0.0025	0.0025
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0324	0.0855	0.1842
Schistosoma mansoni	cercarial elastase (S01 family)	0.0143	0.034	0.034
Schistosoma mansoni	hypothetical protein	0.0143	0.034	0.034
Loa Loa (eye worm)	CYP4Cod1	0.1125	0.3134	0.3134
Echinococcus multilocularis	enteropeptidase	0.0143	0.034	0.0316
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0324	0.0855	0.1842
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0152	0.0368	0.0368
Brugia malayi	hypothetical protein	0.0143	0.034	0.034
Loa Loa (eye worm)	trypsin family protein	0.0143	0.034	0.034
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0143	0.034	0.034
Echinococcus granulosus	Mastin	0.0143	0.034	0.034
Onchocerca volvulus		0.0032	0.0025	0.0745
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0324	0.0855	0.1842
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0324	0.0855	0.1842
Brugia malayi	Cathepsin L-like precursor	0.0032	0.0025	0.0025
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0032	0.0025	0.243
Onchocerca volvulus		0.0143	0.034	1
Trypanosoma brucei	Aph-1 protein, putative	0.1379	0.3857	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0032	0.0025	0.243
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0032	0.0025	0.243
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0143	0.034	0.034
Schistosoma mansoni	cathepsin F (C01 family)	0.0032	0.0025	0.0025
Echinococcus multilocularis	cathepsin b	0.0171	0.042	0.0396
Onchocerca volvulus		0.0032	0.0025	0.0745

Activities

Activity type	Activity value	Assay description	Source	Reference
K inact/Ki (binding)	= 558 M-1 s-1	Second order rate constant of the compound for the inactivation of papain at pH 6.5 was reported	ChEMBL.	7636871
K inact/Ki (binding)	= 52000 M-1 s-1	Second order rate constant of the compound for the inactivation of cathepsin B at pH 6.5 was reported	ChEMBL.	7636871

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: 271552

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 174096