TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 287.741 | Formula: C16H14ClNO2
H donors: 1 H acceptors: 1 LogP: 3.67 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1/C=C/c1ccccc1Cl)C(=O)N
InChi: 1S/C16H14ClNO2/c1-20-15-9-8-13(16(18)19)10-12(15)7-6-11-4-2-3-5-14(11)17/h2-10H,1H3,(H2,18,19)/b7-6+
InChiKey: FXBSKCCWSPJANF-VOTSOKGWSA-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
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0306	0.5234
Schistosoma mansoni	hypothetical protein	0.004	0.0611	0.0512
Echinococcus multilocularis	importin subunit beta 1	0.0034	0.0431	0.0331
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.1152	0.5109
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0144	0.3676	0.361
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.1615	0.1527
Brugia malayi	beta-lactamase family protein	0.0042	0.0677	0.3002
Leishmania major	hypothetical protein, conserved	0.0029	0.0306	0.3536
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0074	0.1615	0.1527
Echinococcus granulosus	tar DNA binding protein	0.0074	0.1615	0.1527
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0677	1
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0677	0.0793
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0677	0.5
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0677	0.0793
Echinococcus multilocularis	geminin	0.0198	0.5254	0.5204
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0134	0.3362	0.3292
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.1615	0.1527
Entamoeba histolytica	hypothetical protein	0.0042	0.0676	1
Leishmania major	GTP-binding protein, putative	0.0025	0.017	0.1151
Echinococcus multilocularis	snurportin 1	0.036	1	1
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0677	1
Brugia malayi	beta-lactamase family protein	0.0042	0.0677	0.3002
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0677	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0431	0.0331
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0306	0.3536
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0677	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0306	0.0205
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0677	1
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0025	0.017	0.0753
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0677	1
Schistosoma mansoni	hypothetical protein	0.0134	0.3362	0.3292
Echinococcus granulosus	geminin	0.0198	0.5254	0.5204
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0677	1
Brugia malayi	RNA recognition motif domain containing protein	0.0074	0.1615	0.7162
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0025	0.017	0.1151
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0025	0.017	0.0067
Entamoeba histolytica	Ran family GTPase	0.0025	0.017	0.1153
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.1152	0.1059
Schistosoma mansoni	hypothetical protein	0.0042	0.0676	0.0578
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0677	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0677	0.0579
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0025	0.017	0.0067
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0677	0.0579
Trichomonas vaginalis	importin beta-1, putative	0.0027	0.0244	0.2444
Toxoplasma gondii	LsmAD domain-containing protein	0.0029	0.0306	0.2695
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0677	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0677	0.0579
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0677	0.0579
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0104	0.046
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.1615	0.1527
Echinococcus granulosus	importin subunit beta 1	0.0034	0.0431	0.0331
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0677	0.0793
Toxoplasma gondii	ABC1 family protein	0.0042	0.0677	1
Entamoeba histolytica	hypothetical protein	0.0042	0.0676	1
Leishmania major	importin beta-1 subunit, putative	0.0027	0.0244	0.2444
Brugia malayi	hypothetical protein	0.0029	0.0306	0.1359
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0027	0.0244	0.2444
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0104	0.046
Plasmodium falciparum	ataxin-2 like protein, putative	0.0029	0.0306	0.5234
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0677	0.0579
Entamoeba histolytica	hypothetical protein	0.0042	0.0676	1
Loa Loa (eye worm)	RNA binding protein	0.0074	0.1615	0.1527
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.036	1	1
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0025	0.017	0.1151
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0244	0.2444
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.1615	0.1527
Entamoeba histolytica	hypothetical protein	0.0042	0.0676	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.1152	0.5109
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0025	0.017	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0029	0.0306	0.3536
Schistosoma mansoni	ran	0.0025	0.017	0.0067
Brugia malayi	RNA, U transporter 1	0.0096	0.2254	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0034	0.0431	0.515
Onchocerca volvulus		0.0042	0.0677	0.5
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0677	1
Leishmania major	hypothetical protein, conserved	0.0042	0.0677	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0611	0.0512
Brugia malayi	RNA binding protein	0.0074	0.1615	0.7162
Schistosoma mansoni	hypothetical protein	0.0198	0.5254	0.5204
Brugia malayi	TAR-binding protein	0.0074	0.1615	0.7162
Mycobacterium ulcerans	lipase LipD	0.0042	0.0677	1
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0677	0.0793
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.0611	0.2709
Schistosoma mansoni	hypothetical protein	0.036	1	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0677	0.0579
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0134	0.3362	0.3292
Plasmodium vivax	ataxin-2 like protein, putative	0.0029	0.0306	0.2695
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0677	0.0579
Schistosoma mansoni	ran	0.0025	0.017	0.0067
Loa Loa (eye worm)	TAR-binding protein	0.0074	0.1615	0.1527
Schistosoma mansoni	thyroid hormone receptor	0.0144	0.3676	0.361
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0677	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0677	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0677	0.0579
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0677	0.0579
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.1615	0.1527
Echinococcus multilocularis	tar DNA binding protein	0.0074	0.1615	0.1527
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0677	1
Entamoeba histolytica	hypothetical protein	0.0027	0.0244	0.2448
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0677	0.0793
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0677	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1152	0.1059
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0025	0.017	0.0067
Schistosoma mansoni	hypothetical protein	0.0198	0.5254	0.5204
Brugia malayi	Importin beta-1 subunit	0.0034	0.0431	0.1911
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0677	0.0579
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0677	1
Plasmodium falciparum	importin beta, putative	0.0034	0.0431	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0677	0.0579
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0677	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0677	0.3002
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0677	0.0793
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0431	0.5708
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0677	0.0793
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0269	0.7332	1
Onchocerca volvulus		0.0042	0.0677	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0144	0.3676	0.361
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0676	0.0578
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0431	0.5708
Brugia malayi	beta-lactamase	0.0042	0.0677	0.3002
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0676	0.0578
Trichomonas vaginalis	ran, putative	0.0025	0.017	0.1151
Trichomonas vaginalis	esterase, putative	0.0042	0.0677	1
Onchocerca volvulus		0.0042	0.0677	0.5
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0677	0.0793
Plasmodium vivax	importin-beta 2, putative	0.0034	0.0431	0.515
Schistosoma mansoni	importin beta-1	0.0034	0.0431	0.0331
Brugia malayi	hypothetical protein	0.0042	0.0676	0.2998
Trypanosoma cruzi	PAB1-binding protein , putative	0.0029	0.0306	0.3536
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0025	0.017	0.1151
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0676	0.0578
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0677	0.0579
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0244	0.2444

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 23 uM	Antiangiogenic activity in HUVEC assessed as inhibition of VEGF-induced cell proliferation after 4 days	ChEMBL.	22269278
IC50 (ADMET)	> 50 uM	Antiproliferative activity against human HCT116 cells	ChEMBL.	22269278

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: CHEMBL1949774

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1568966