TDR Targets

Basic information

Technical information

TDR Targets ID: 1451646
Name: MLS000392196
MW: 498.315 | Formula: C24H17Cl2N3O5
H donors: 1 H acceptors: 5 LogP: 3.74 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(C(=O)Nc1cccc(c1Cl)Cl)OC(=O)c1ccc2c(c1)C(=O)N(C2=O)Cc1ccncc1
InChi: 1S/C24H17Cl2N3O5/c1-13(21(30)28-19-4-2-3-18(25)20(19)26)34-24(33)15-5-6-16-17(11-15)23(32)29(22(16)31)12-14-7-9-27-10-8-14/h2-11,13H,12H2,1H3,(H,28,30)
InChiKey: YWQCZZFUOKBMFA-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

SMR000261147
T0515-3484

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)	phosphatidylinositol 3	0.0047	0.018	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0047	0.018	1
Schistosoma mansoni	thyroid hormone receptor	0.0462	0.277	0.277
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0045	0.0018
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0047	0.018	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0047	0.018	1
Echinococcus multilocularis	FTZ F1 alpha	0.0034	0.0101	0.0101
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0034	0.0101	0.5604
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0022	0.0026	0.0985
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.018	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0034	0.0101	0.5604
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0034	0.0101	0.0101
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0105	0.444
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0047	0.018	1
Loa Loa (eye worm)	steroid hormone receptor	0.0034	0.0101	0.5604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0105	0.444
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0034	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0101	0.5604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.006	0.1138
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0062	0.1267
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0034	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0101	0.5604
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0047	0.018	0.018
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0034	0.0101	0.0101
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0047	0.018	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0101	0.5604
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0047	0.018	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0034	0.0101	0.5604
Brugia malayi	Nuclear hormone receptor-like 1	0.0034	0.0101	0.5604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.012	0.556
Echinococcus granulosus	FTZ F1 alpha	0.0034	0.0101	0.0101
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0034	0.0101	0.5604
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0034	0.0101	0.5604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0105	0.444
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0427	0.2555	0.2555
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0034	0.0101	0.0101
Onchocerca volvulus	Protein ultraspiracle homolog	0.0034	0.0101	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0034	0.0101	0.0101
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0034	0.0101	0.5604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.018	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0045	0.0018
Schistosoma mansoni	microtubule-associated protein tau	0.1619	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.006	0.1138
Brugia malayi	nuclear receptor NHR-88	0.0034	0.0101	0.5604
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0101	0.5604
Schistosoma mansoni	hypothetical protein	0.0427	0.2555	0.2555
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0034	0.0101	0.0101
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0062	0.1267
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0101	0.5604
Schistosoma mansoni	retinoic acid receptor RXR	0.0034	0.0101	0.0101
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	0.0101	0.0101
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0035	0.0105	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0034	0.0101	0.5604
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0047	0.018	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	0.0101	0.0101
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0034	0.0101	0.5604
Giardia lamblia	GTOR	0.0047	0.018	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0034	0.0101	0.5604
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0034	0.0101	0.0101
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0034	0.0101	0.5604
Onchocerca volvulus		0.0034	0.0101	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0101	0.5604
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0034	0.0101	0.5604
Brugia malayi	steroid hormone receptor	0.0034	0.0101	0.5604
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0047	0.018	0.018
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0147	0.0147
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0034	0.0101	0.5604
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0034	0.0101	0.0101
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0105	0.444
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0034	0.0101	0.0101
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0034	0.0101	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0101	0.5604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.012	0.556
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0034	0.0101	0.0101
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.012	0.556
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0147	0.0147
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0034	0.0101	0.0101
Echinococcus multilocularis	microtubule associated protein 2	0.1619	1	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0047	0.018	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0101	0.5604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0105	0.444
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0462	0.277	0.277
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.012	0.556
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0034	0.0101	0.5604
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0034	0.0101	0.5604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0077	0.2387
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0034	0.0101	0.0101
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0062	0.1267
Schistosoma mansoni	coup transcription factor	0.0034	0.0101	0.0101
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0034	0.0101	0.0101
Echinococcus granulosus	ecdysone induced protein 78C	0.0034	0.0101	0.0101
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.012	0.556
Brugia malayi	photoreceptor-specific nuclear receptor	0.0034	0.0101	0.5604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0105	0.444
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0047	0.018	0.018
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0034	0.0101	0.5604
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0034	0.0101	0.5604
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	0.0101	0.0101
Brugia malayi	hypothetical protein	0.0042	0.0147	0.8172
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	0.0101	0.0101
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0084	0.2856
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0034	0.0101	0.5604
Schistosoma mansoni	thyroid hormone receptor	0.0462	0.277	0.277
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0037	0.0121	0.6514
Schistosoma mansoni	RAR-like nuclear receptor	0.0034	0.0101	0.0101
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0034	0.0101	0.5604
Schistosoma mansoni	hypothetical protein	0.0042	0.0147	0.0147
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0045	0.0018
Onchocerca volvulus	Bile acid receptor homolog	0.0034	0.0101	0.5
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0047	0.018	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0034	0.0101	0.5604
Brugia malayi	nuclear hormone receptor	0.0034	0.0101	0.5604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.0137	0.6827
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0034	0.0101	0.0101
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0045	0.0018
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.018	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0034	0.0101	0.0101
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0034	0.0101	0.5604
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0105	0.444
Brugia malayi	Steroid receptor seven-up type 2	0.0034	0.0101	0.5604
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0427	0.2555	0.2555
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0147	0.0147
Schistosoma mansoni	nuclear hormone receptor	0.0034	0.0101	0.0101
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0034	0.0101	0.5
Brugia malayi	ecdysteroid receptor	0.0034	0.0101	0.5604

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	75.6863 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	= 100 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

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: CHEMBL1589316

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 1451646