TDR Targets

Basic information

Technical information

TDR Targets ID: 1358570
Name: ethyl 4-[4-[3-(2-methoxyphenyl)prop-2-enoyl]p iperazin-1-yl]sulfonylbenzoate
MW: 458.527 | Formula: C23H26N2O6S
H donors: 0 H acceptors: 4 LogP: 2.62 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)/C=C/c1ccccc1OC
InChi: 1S/C23H26N2O6S/c1-3-31-23(27)19-8-11-20(12-9-19)32(28,29)25-16-14-24(15-17-25)22(26)13-10-18-6-4-5-7-21(18)30-2/h4-13H,3,14-17H2,1-2H3/b13-10+
InChiKey: RKOMDDRCRMSWEM-JLHYYAGUSA-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

ethyl 4-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]sulfonylbenzoate
4-[[4-[3-(2-methoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester
4-[[4-[(E)-3-(2-methoxyphenyl)-1-oxoprop-2-enyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester
4-[4-[3-(2-methoxyphenyl)acryloyl]piperazin-1-yl]sulfonylbenzoic acid ethyl ester
4-[4-[(E)-3-(2-methoxyphenyl)acryloyl]piperazin-1-yl]sulfonylbenzoic acid ethyl ester
T5355895

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	l(3)mbt-like 1 (Drosophila)	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
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
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 3 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	Conserved 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 mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 4 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130415	All targets in OG5_130415
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	hypothetical protein	0.0294	0.1975	0.1956
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0066	0.0175	0.0175
Schistosoma mansoni	hypothetical protein	0.0205	0.1271	0.1198
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0331	0.0309
Echinococcus granulosus	calcium activated potassium channel variant	0.0054	0.0083	0.0083
Echinococcus multilocularis	twik family of potassium channels	0.0054	0.0083	0.0083
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0054	0.0083	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0093	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Trypanosoma cruzi	ion transport protein, putative	0.0054	0.0083	0.5
Leishmania major	hypothetical protein, conserved	0.0054	0.0083	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0093	0.0093
Loa Loa (eye worm)	MBCTL1	0.0066	0.0175	0.0152
Mycobacterium ulcerans	ion transport protein	0.0054	0.0083	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0054	0.0083	0.5
Leishmania major	potassium channel subunit-like protein	0.0054	0.0083	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0054	0.0083	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0332	0.2276	0.2258
Echinococcus multilocularis	geminin	0.0205	0.1271	0.1271
Schistosoma mansoni	calcium-activated potassium channel	0.1312	1	1
Schistosoma mansoni	hypothetical protein	0.035	0.2419	0.2356
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	hypothetical protein	0.1312	1	1
Leishmania major	calcium/potassium channel (CAKC), putative	0.0054	0.0083	0.5
Echinococcus granulosus	twik family of potassium channels	0.0054	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0064	0.0041
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0175	0.0152
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0066	0.0175	0.078
Echinococcus multilocularis	twik family of potassium channels	0.0054	0.0083	0.0083
Echinococcus granulosus	SAM and MBT domain containing protein	0.0058	0.0112	0.0112
Echinococcus multilocularis	small conductance calcium activated potassium	0.1312	1	1
Loa Loa (eye worm)	mbt repeat family protein	0.0058	0.0112	0.0089
Schistosoma mansoni	calcium-activated potassium channel	0.0886	0.6645	0.6617
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0093	0.0011
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.0112	0.003
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	TWK-28 protein	0.0054	0.0083	0.006
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0054	0.0083	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0112	0.0089
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0054	0.0083	0.0309
Echinococcus multilocularis	potassium channel subfamily K	0.0054	0.0083	0.0083
Leishmania major	hypothetical protein, conserved	0.0054	0.0083	0.5
Leishmania major	ion transport protein-like protein	0.0054	0.0083	0.5
Echinococcus granulosus	histone acetyltransferase MYST2	0.0066	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0054	0.0083	0.0309
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0054	0.0083	0.5
Onchocerca volvulus		0.0058	0.0112	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Echinococcus granulosus	twik family of potassium channels	0.0054	0.0083	0.0083
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0054	0.0083	0.5
Giardia lamblia	Hypothetical protein	0.0054	0.0083	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0054	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0054	0.0083	0.0309
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0054	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0554	0.4027	0.4013
Echinococcus granulosus	potassium channel subfamily K 8	0.0054	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Schistosoma mansoni	hypothetical protein	0.1312	1	1
Echinococcus granulosus	potassium channel subfamily K 8	0.0054	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0058	0.0112	0.003
Brugia malayi	mbt repeat family protein	0.0058	0.0112	0.0458
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0072	0.0226	0.0226
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Schistosoma mansoni	bromodomain containing protein	0.0076	0.026	0.0179
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0093	0.0093
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0072	0.0226	0.0226
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0054	0.0083	0.5
Brugia malayi	Bromodomain containing protein	0.0091	0.0372	0.179
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0054	0.0083	0.0083
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0093	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0054	0.0083	0.0309
Toxoplasma gondii	ion channel protein	0.0054	0.0083	0.5
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0054	0.0083	0.0083
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0054	0.0083	0.0083
Brugia malayi	mbt repeat family protein	0.0058	0.0112	0.0458
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0054	0.0083	0.006
Plasmodium vivax	potassium channel, putative	0.0054	0.0083	0.5
Echinococcus multilocularis	polycomb protein SCMH1	0.0058	0.0112	0.0112
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0054	0.0083	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0093	0.0011
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0054	0.0083	0.0309
Schistosoma mansoni	hypothetical protein	0.0205	0.1271	0.1198
Loa Loa (eye worm)	hypothetical protein	0.0372	0.2587	0.257
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0054	0.0083	0.0309
Loa Loa (eye worm)	TWK-7 protein	0.0054	0.0083	0.006
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0093	0.0093
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0054	0.0083	0.5
Echinococcus granulosus	geminin	0.0205	0.1271	0.1271
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0054	0.0083	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0093	0.0363
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0054	0.0083	0.0309
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0066	0.0175	0.0093
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0054	0.0083	0.006
Brugia malayi	hypothetical protein	0.0054	0.0083	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Echinococcus multilocularis	calcium activated potassium channel variant	0.0054	0.0083	0.0083
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0054	0.0083	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0054	0.0083	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Echinococcus multilocularis	potassium channel subfamily K 8	0.0054	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0046	0.0023
Schistosoma mansoni	sex comb on midleg homolog	0.0058	0.0112	0.003
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Toxoplasma gondii	ion channel protein	0.0054	0.0083	0.5
Echinococcus multilocularis	potassium channel subfamily K 8	0.0054	0.0083	0.0083
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0054	0.0083	0.0083
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0054	0.0083	0.0309
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Brugia malayi	hypothetical protein	0.0294	0.1975	1
Mycobacterium ulcerans	transmembrane cation transporter	0.0054	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Brugia malayi	hypothetical protein	0.0054	0.0083	0.0309
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0058	0.0112	0.0112
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0066	0.0175	0.0175
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0227	0.1448	0.1448
Plasmodium falciparum	potassium channel	0.0054	0.0083	0.5
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0054	0.0083	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0054	0.0083	0.0309
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0054	0.0083	0.0309
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0227	0.1448	0.1448
Echinococcus granulosus	polycomb protein SCMH1	0.0058	0.0112	0.0112
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0054	0.0083	0.006
Trypanosoma cruzi	ion transport protein, putative	0.0054	0.0083	0.5
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Plasmodium vivax	potassium channel, putative	0.0054	0.0083	0.5
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0054	0.0083	0.5
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0058	0.0112	0.0155
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0054	0.0083	0.0309
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0054	0.0083	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0093	0.007
Loa Loa (eye worm)	uncoordinated protein 58	0.0054	0.0083	0.006
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0066	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0083	0.006
Plasmodium falciparum	potassium channel	0.0054	0.0083	0.5
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0054	0.0083	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0054	0.0083	0.0309
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0054	0.0083	0.5
Onchocerca volvulus		0.0294	0.1975	1
Echinococcus granulosus	potassium channel subfamily K	0.0054	0.0083	0.0083
Trypanosoma cruzi	hypothetical protein, conserved	0.0054	0.0083	0.5

Activities

Activity type	Activity value	Assay description	Source	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)	0.8275 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)	2.2387 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 17.7828 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
Potency (functional)	18.3564 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 112.2018 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Saccharomyces cerevisiae	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: CHEMBL1473867

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1358570