TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 584 | Formula: C30H23ClFN7O3
H donors: 1 H acceptors: 5 LogP: 4.77 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: Fc1ccc2c(c1)C(=O)C(=O)N2CCCn1nnc(c1)COc1ccc(cc1)/C=N/Nc1ccnc2c1ccc(c2)Cl
InChi: 1S/C30H23ClFN7O3/c31-20-4-8-24-26(10-11-33-27(24)14-20)36-34-16-19-2-6-23(7-3-19)42-18-22-17-38(37-35-22)12-1-13-39-28-9-5-21(32)15-25(28)29(40)30(39)41/h2-11,14-17H,1,12-13,18H2,(H,33,36)/b34-16+
InChiKey: STQXCUSOLCQIAT-AABVJFSESA-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	LCCL domain-containing protein	0.0023	0.0391	0.5627
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0934	0.0934
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0136	0.3605	1
Entamoeba histolytica	hypothetical protein	0.0042	0.0934	0.9654
Brugia malayi	Doublecortin family protein	0.0023	0.0391	0.1086
Brugia malayi	hypothetical protein	0.0023	0.0391	0.1086
Schistosoma mansoni	lipoxygenase	0.0097	0.2484	0.2484
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0139	0.3667	0.3667
Schistosoma mansoni	hypothetical protein	0.0042	0.0934	0.0934
Loa Loa (eye worm)	cytochrome P450 family protein	0.0027	0.0488	0.0488
Entamoeba histolytica	hypothetical protein	0.0042	0.0934	0.9654
Echinococcus granulosus	ubiquitin specific protease 41	0.0043	0.0967	0.0967
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0025	0.0442	0.6349
Schistosoma mansoni	lysosomal protective protein precursor (cathepsin A) (carboxypeptidase	0.0013	0.0116	0.0116
Brugia malayi	hypothetical protein	0.0042	0.0934	0.259
Leishmania major	GTP-binding protein, putative	0.0025	0.0442	0.1225
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0025	0.0442	0.1225
Schistosoma mansoni	loxhd1	0.0023	0.0391	0.0391
Echinococcus multilocularis	lysosomal protective protein	0.0136	0.3605	0.3605
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0043	0.0967	0.0967
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0025	0.0442	0.1225
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0391	0.0391
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0136	0.3605	1
Echinococcus multilocularis	RUN	0.0023	0.0391	0.0391
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0043	0.0967	0.0967
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0136	0.3605	1
Loa Loa (eye worm)	doublecortin family protein	0.0023	0.0391	0.0391
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0043	0.0967	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0695	0.1929
Schistosoma mansoni	lipoxygenase	0.0139	0.3667	0.3667
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0043	0.0967	0.0967
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0043	0.0967	0.0967
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0023	0.0391	0.0391
Echinococcus multilocularis	Polycystic kidney disease protein	0.0023	0.0391	0.0391
Echinococcus multilocularis	geminin	0.0199	0.5385	0.5385
Plasmodium vivax	multidomain scavenger receptor, putative	0.0023	0.0391	0.5627
Echinococcus granulosus	family S10 non peptidase ue S10 family	0.0123	0.3222	0.3222
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0043	0.0967	1
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0025	0.0442	0.1225
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0043	0.0967	0.2683
Echinococcus granulosus	Polycystic kidney disease protein	0.0023	0.0391	0.0391
Schistosoma mansoni	importin beta-1	0.0034	0.0695	0.0695
Leishmania major	importin beta-1 subunit, putative	0.0027	0.0514	0.1425
Echinococcus multilocularis	ubiquitin specific protease 41	0.0043	0.0967	0.0967
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0023	0.0391	0.0391
Brugia malayi	Cytochrome P450 family protein	0.0027	0.0488	0.1354
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0136	0.3605	1
Plasmodium vivax	importin-beta 2, putative	0.0034	0.0695	1
Schistosoma mansoni	hypothetical protein	0.0199	0.5385	0.5385
Echinococcus multilocularis	importin subunit beta 1	0.0034	0.0695	0.0695
Schistosoma mansoni	hypothetical protein	0.0199	0.5385	0.5385
Onchocerca volvulus	Uncharacterized serine carboxypeptidase homolog	0.0136	0.3605	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0000000003634	0.0000000003634
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0043	0.0967	0.0967
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0934	0.0934
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0136	0.3605	1
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0136	0.3605	1
Echinococcus granulosus	RUN	0.0023	0.0391	0.0391
Brugia malayi	hypothetical protein	0.0023	0.0391	0.1086
Loa Loa (eye worm)	hypothetical protein	0.0136	0.3605	0.3605
Brugia malayi	RNA, U transporter 1	0.0096	0.2468	0.6848
Echinococcus granulosus	lipoxygenase domain containing protein	0.0023	0.0391	0.0391
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0514	0.137
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0043	0.0967	0.2683
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0025	0.0442	0.0442
Brugia malayi	Importin beta-1 subunit	0.0034	0.0695	0.1929
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0043	0.0967	0.0967
Echinococcus granulosus	lipoxygenase domain containing protein	0.0023	0.0391	0.0391
Schistosoma mansoni	ran	0.0025	0.0442	0.0442
Schistosoma mansoni	rab6-interacting	0.0023	0.0391	0.0391
Schistosoma mansoni	family S10 unassigned peptidase (S10 family)	0.0136	0.3605	0.3605
Schistosoma mansoni	rab6-interacting	0.0023	0.0391	0.0391
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.0967	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0025	0.0442	0.0442
Schistosoma mansoni	hypothetical protein	0.0023	0.0391	0.0391
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0025	0.0442	0.6349
Trypanosoma brucei	importin beta-1 subunit, putative	0.0034	0.0695	0.1929
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0025	0.0442	0.0442
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0043	0.0967	0.2683
Brugia malayi	Serine carboxypeptidase F41C3.5 precursor	0.0136	0.3605	1
Entamoeba histolytica	hypothetical protein	0.0042	0.0934	0.9654
Entamoeba histolytica	hypothetical protein	0.0027	0.0514	0.531
Echinococcus multilocularis	family S10 non peptidase ue (S10 family)	0.0123	0.3222	0.3222
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0391	0.0391
Entamoeba histolytica	hypothetical protein	0.0042	0.0934	0.9654
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0136	0.3605	1
Trichomonas vaginalis	importin beta-1, putative	0.0027	0.0514	0.137
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0043	0.0967	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0027	0.0514	0.1425
Entamoeba histolytica	Ran family GTPase	0.0025	0.0442	0.4566
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0934	0.0934
Echinococcus granulosus	lysosomal protective protein	0.0136	0.3605	0.3605
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0967	0.0967
Leishmania major	serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10	0.0136	0.3605	1
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0043	0.0967	0.2683
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0025	0.0442	0.1225
Plasmodium falciparum	importin beta, putative	0.0034	0.0695	1
Echinococcus granulosus	geminin	0.0199	0.5385	0.5385
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0043	0.0967	1
Schistosoma mansoni	ran	0.0025	0.0442	0.0442
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0139	0.3667	0.3667
Toxoplasma gondii	HEAT repeat-containing protein	0.0034	0.0695	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0695	0.0695
Echinococcus granulosus	importin subunit beta 1	0.0034	0.0695	0.0695
Schistosoma mansoni	polycystin 1-related	0.0023	0.0391	0.0391
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0043	0.0967	0.2683
Schistosoma mansoni	family S10 non-peptidase homologue (S10 family)	0.0136	0.3605	0.3605
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0027	0.0514	0.137

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 288 nM	Antimalarial activity against chloroquine-resistant Plasmodium falciparum W2 after 48 hrs by flow cytometry	ChEMBL.	24424135

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	24424135

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: CHEMBL3116370

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 1833620