TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 385.41 | Formula: C21H23NO6
H donors: 1 H acceptors: 2 LogP: 1.57 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COCCO/C(=C/1\C(=NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CCC2)C)/O
InChi: 1S/C21H23NO6/c1-12-18(21(24)26-9-8-25-2)19(20-14(22-12)4-3-5-15(20)23)13-6-7-16-17(10-13)28-11-27-16/h6-7,10,19,24H,3-5,8-9,11H2,1-2H3/b21-18+
InChiKey: XFJRIMVZWXYRHY-DYTRJAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948

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
Onchocerca volvulus		0.0031	0.014	0.0053
Schistosoma mansoni	chromobox protein	0.0071	0.0633	0.7068
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0032	0.0154	0.1931
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0092	0.0896	0.2463
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0294	0.2422
Echinococcus granulosus	PHD finger protein rhinoceros	0.003	0.0121	0.0333
Trichomonas vaginalis	esterase, putative	0.0043	0.0294	0.2422
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0037	0.0103
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0252	0.2894	0.8946
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0059	0.0494	0.0494
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0633	0.0633
Schistosoma mansoni	chromobox protein	0.0071	0.0633	0.7068
Schistosoma mansoni	hypothetical protein	0.003	0.0121	0.1351
Echinococcus multilocularis	PHD finger protein rhinoceros	0.003	0.0121	0.0121
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0032	0.0154	0.0154
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0092	0.0896	0.0896
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0441	0.1046
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0223	0.0613
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0294	0.2127
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0207	0.0569
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0059	0.0494	0.4739
Loa Loa (eye worm)	hypothetical protein	0.0031	0.014	0.0392
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0092	0.0896	0.2463
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0294	0.2422
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0441	0.4921
Brugia malayi	beta-lactamase	0.0043	0.0294	0.0636
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0032	0.0154	0.0297
Trypanosoma cruzi	aminopeptidase, putative	0.0032	0.0154	0.0297
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0032	0.0154	0.1725
Toxoplasma gondii	aminopeptidase N, putative	0.0032	0.0154	0.1931
Mycobacterium ulcerans	aminopeptidase N PepN	0.0092	0.0896	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0294	0.0872
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0441	0.1212
Brugia malayi	jmjC domain containing protein	0.0038	0.0223	0.0435
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0294	0.0872
Schistosoma mansoni	hypothetical protein	0.0031	0.0142	0.159
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0059	0.0494	0.5513
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0223	0.065
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0246	0.1816
Trypanosoma brucei	aminopeptidase, putative	0.0032	0.0154	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0494	0.1492
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0032	0.0154	0.0438
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.0642	0.0642
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0142	0.0142
Onchocerca volvulus		0.0043	0.0294	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0154	0.0438
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0092	0.0896	0.0896
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.003	0.0121	0.1351
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0294	0.3286
Echinococcus multilocularis	chromobox protein 1	0.0071	0.0633	0.0633
Brugia malayi	Bromodomain containing protein	0.0039	0.0237	0.0474
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0097	0.0959	0.0959
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0097	0.0959	0.2639
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0294	0.0636
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0092	0.0896	1
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0284	0.2288
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0265	0.073
Leishmania major	hypothetical protein, conserved	0.0043	0.0294	0.2127
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0092	0.0896	1
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0121	0.0334
Schistosoma mansoni	hypothetical protein	0.0071	0.0642	0.7166
Toxoplasma gondii	aminopeptidase n, putative	0.0032	0.0154	0.1931
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0132	0.3224
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0441	0.4921
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0294	0.0872
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.0985	0.2571
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0292	0.0864
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0142	0.0142
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0294	0.2127
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0032	0.0154	0.0425
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0142	0.021
Loa Loa (eye worm)	hypothetical protein	0.003	0.0132	0.0368
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0142	0.0142
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0132	0.0623
Onchocerca volvulus		0.0032	0.0154	0.0095
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0032	0.0154	0.0425
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0633	0.6691
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0441	0.4921
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.0985	0.3016
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0246	0.1816
Brugia malayi	beta-lactamase family protein	0.0043	0.0294	0.0636
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0043	0.0284	0.0463
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0032	0.0154	0.1725
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0294	0.2127
Schistosoma mansoni	hypothetical protein	0.0031	0.0142	0.159
Giardia lamblia	PHD finger protein 15	0.003	0.0121	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0294	0.0872
Brugia malayi	hypothetical protein	0.0071	0.0642	0.161
Schistosoma mansoni	hypothetical protein	0.0021	0.0013	0.0149
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0441	0.1327
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0032	0.0154	0.1931
Loa Loa (eye worm)	aminopeptidase N	0.0092	0.0896	0.274
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0032	0.0154	1
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0032	0.0154	0.0297
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0294	0.1886
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0092	0.0896	1
Toxoplasma gondii	ABC1 family protein	0.0043	0.0294	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0207	0.0207
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0294	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0294	0.0872
Toxoplasma gondii	aminopeptidase N protein	0.0032	0.0154	0.1931
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0092	0.0896	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0294	0.2422
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0142	0.021
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0265	0.0265
Brugia malayi	jmjC domain containing protein	0.0097	0.0959	0.2499
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0032	0.0154	0.0297
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0294	0.0872
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0132	0.0623
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0142	0.0392
Echinococcus granulosus	chromobox protein 1	0.0071	0.0633	0.1741
Brugia malayi	TATA binding protein associated factor	0.0032	0.0154	0.0244
Brugia malayi	Peptidase family M1 containing protein	0.0032	0.0154	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0142	0.0401
Brugia malayi	hypothetical protein	0.0092	0.0896	0.2321
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0154	0.0438
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0294	0.0809
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0294	0.1886
Schistosoma mansoni	hypothetical protein	0.0031	0.0142	0.159
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0132	0.3224
Echinococcus granulosus	chromobox protein 1	0.0071	0.0633	0.1741
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0441	0.0441
Loa Loa (eye worm)	hypothetical protein	0.004	0.0246	0.0723
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0294	0.0872
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0032	0.0154	0.0297
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0092	0.0896	1
Entamoeba histolytica	aminopeptidase, putative	0.0092	0.0896	1
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0032	0.0154	0.0661
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0223	0.2486
Brugia malayi	PHD-finger family protein	0.003	0.0121	0.015
Onchocerca volvulus		0.0092	0.0896	0.2204
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0985	0.3016
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0142	0.0401
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0294	0.2422
Brugia malayi	latrophilin 2 splice variant baaae	0.0068	0.0595	0.1478
Loa Loa (eye worm)	hypothetical protein	0.0279	0.3234	1
Trypanosoma cruzi	aminopeptidase, putative	0.0092	0.0896	1
Brugia malayi	Bromodomain containing protein	0.0076	0.07	0.1774
Brugia malayi	beta-lactamase family protein	0.0043	0.0294	0.0636
Echinococcus granulosus	aminopeptidase N	0.0312	0.3636	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0294	0.0872
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0092	0.0896	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0092	0.0896	0.2463
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.0711	0.7941
Loa Loa (eye worm)	heterochromatin protein 1	0.0071	0.0633	0.1924
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0032	0.0154	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0092	0.0896	1
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0154	0.0438
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0294	0.5
Brugia malayi	hypothetical protein	0.003	0.0132	0.0181
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0032	0.0154	0.0297
Onchocerca volvulus		0.0043	0.0294	0.0493
Loa Loa (eye worm)	hypothetical protein	0.022	0.2493	0.7699
Onchocerca volvulus		0.0312	0.3636	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0037	0.0419
Loa Loa (eye worm)	TATA binding protein associated factor	0.0032	0.0154	0.0438
Brugia malayi	Peptidase family M1 containing protein	0.0312	0.3636	1
Schistosoma mansoni	hypothetical protein	0.0068	0.0595	0.6642
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0092	0.0896	0.0896
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0032	0.0154	0.1725
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0294	0.1886
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.004	0.0246	0.0356
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.0985	0.2571
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0294	0.5
Loa Loa (eye worm)	hypothetical protein	0.003	0.0121	0.0334
Brugia malayi	chromobox protein homolog 3	0.004	0.0246	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0494	0.1492
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0441	0.0441
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0294	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0032	0.0154	0.0425
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0092	0.0896	0.0896
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0294	0.2422
Mycobacterium ulcerans	lipase LipD	0.0043	0.0294	0.1886
Brugia malayi	Bromodomain containing protein	0.0032	0.0151	0.0234
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0092	0.0896	0.0896
Onchocerca volvulus		0.0043	0.0294	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0384	0.1152
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0294	0.3286
Trichomonas vaginalis	chromobox protein, putative	0.0043	0.0284	0.2288
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0441	0.1212
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0142	0.0392
Echinococcus granulosus	GPCR family 2	0.0031	0.0142	0.0392
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0092	0.0896	1
Brugia malayi	Peptidase family M1 containing protein	0.0092	0.0896	0.2321
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.0642	0.7166
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0061	0.0507	0.1395
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0646	0.1965
Brugia malayi	hypothetical protein	0.0032	0.0154	0.0244
Trypanosoma brucei	Aminopeptidase M1, putative	0.0092	0.0896	1
Echinococcus granulosus	peregrin	0.0032	0.0151	0.0415
Schistosoma mansoni	bromodomain containing protein	0.0064	0.0552	0.6167
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0092	0.0896	0.2463
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0513	0.1553
Trypanosoma brucei	Aminopeptidase M1, putative	0.0092	0.0896	1
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0092	0.0896	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0199	0.0199
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0092	0.0896	0.0896
Trichomonas vaginalis	chromobox protein, putative	0.0071	0.0633	0.6691
Echinococcus multilocularis	peregrin	0.0032	0.0151	0.0151
Echinococcus multilocularis	aminopeptidase N	0.0312	0.3636	0.3636
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0032	0.0154	0.0297
Schistosoma mansoni	hypothetical protein	0.0031	0.0142	0.159
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0223	0.2486
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0237	0.0696
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0267	0.0789
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.3213	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.0642	0.1765
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0595	0.1806
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0037	0.0037
Brugia malayi	Heterochromatin protein 1	0.0071	0.0633	0.1585
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0294	0.1886
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0061	0.0507	0.0507

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.7079 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)	22.3872 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

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: CHEMBL3207382

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1877571