TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 341.858 | Formula: C18H16ClN3S
H donors: 1 H acceptors: 1 LogP: 5.33 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(s1)C1=NNC(C1)c1cc2cccc(c2nc1Cl)C
InChi: 1S/C18H16ClN3S/c1-10-4-3-5-12-8-13(18(19)20-17(10)12)14-9-15(22-21-14)16-7-6-11(2)23-16/h3-8,14,21H,9H2,1-2H3
InChiKey: IXBMKOIKNAULKS-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

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
Loa Loa (eye worm)	hypothetical protein	0.056	0.0726	0.0726
Brugia malayi	diacylglycerol acyltransferase	0.056	0.0726	0.0702
Loa Loa (eye worm)	hypothetical protein	0.012	0.0039	0.0039
Loa Loa (eye worm)	TK protein kinase	0.025	0.0242	0.0242
Schistosoma mansoni	tyrosine kinase	0.0225	0.0204	0.0204
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.056	0.0726	0.0724
Echinococcus granulosus	zinc finger protein	0.5935	0.9125	0.9125
Loa Loa (eye worm)	MBOAT family protein	0.056	0.0726	0.0726
Echinococcus multilocularis	insulin receptor	0.0111	0.0026	0.0023
Leishmania major	glycerol uptake protein, putative	0.056	0.0726	0.5
Loa Loa (eye worm)	hypothetical protein	0.056	0.0726	0.0726
Echinococcus multilocularis	sterol O acyltransferase 1	0.056	0.0726	0.0724
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0225	0.0204	0.0201
Treponema pallidum	alginate O-acetylation protein (algI)	0.056	0.0726	0.5
Loa Loa (eye worm)	MBOAT family protein	0.6495	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.025	0.0242	0.0217
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.056	0.0726	0.0724
Trypanosoma cruzi	glycerol uptake protein, putative	0.056	0.0726	0.5
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.056	0.0726	0.0726
Trypanosoma brucei	glycerol uptake protein, putative	0.056	0.0726	0.5
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.6495	1	1
Brugia malayi	MBOAT family protein	0.056	0.0726	0.0702
Schistosoma mansoni	zinc finger protein	0.6495	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.1166	0.1674	0.1653
Leishmania major	hypothetical protein, conserved	0.056	0.0726	0.5
Loa Loa (eye worm)	hypothetical protein	0.056	0.0726	0.0726
Schistosoma mansoni	tyrosine kinase	0.0111	0.0026	0.0026
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.056	0.0726	0.5
Onchocerca volvulus	Tyrosine kinase homolog	0.1096	0.1564	1
Entamoeba histolytica	hypothetical protein	0.056	0.0726	0.5
Loa Loa (eye worm)	hypothetical protein	0.012	0.0039	0.0039
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.056	0.0726	0.5
Echinococcus granulosus	neuroglian	0.0096	0.0002	0.0002
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.056	0.0726	0.5
Schistosoma mansoni	tyrosine kinase	0.0183	0.0137	0.0137
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.1166	0.1674	0.1674
Echinococcus granulosus	o acyltransferase membrane bound domain	0.056	0.0726	0.0726
Schistosoma mansoni	tyrosine kinase	0.0174	0.0124	0.0124
Schistosoma mansoni	tyrosine kinase	0.0174	0.0124	0.0124
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.056	0.0726	0.5
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.056	0.0726	0.5
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.056	0.0726	0.0726
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.056	0.0726	0.0726
Schistosoma mansoni	hypothetical protein	0.056	0.0726	0.0726
Echinococcus granulosus	insulin receptor	0.0111	0.0026	0.0026
Schistosoma mansoni	tyrosine kinase	0.0335	0.0374	0.0374
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.056	0.0726	0.0724
Leishmania major	glycerol uptake protein, putative	0.056	0.0726	0.5
Trypanosoma cruzi	glycerol uptake protein, putative	0.056	0.0726	0.5
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.056	0.0726	0.0726
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.056	0.0726	0.5
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0225	0.0204	0.0204
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.056	0.0726	0.5
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0225	0.0204	0.0204
Echinococcus granulosus	roundabout 2	0.012	0.0039	0.0039
Toxoplasma gondii	hypothetical protein	0.056	0.0726	0.5
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.056	0.0726	0.0726
Trichomonas vaginalis	conserved hypothetical protein	0.056	0.0726	0.5
Onchocerca volvulus		0.1063	0.1512	0.9381
Echinococcus granulosus	o acyltransferase membrane bound domain	0.056	0.0726	0.0726
Loa Loa (eye worm)	MBOAT family protein	0.056	0.0726	0.0726
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0111	0.0026	0.0026
Leishmania major	glycerol uptake protein, putative	0.056	0.0726	0.5
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.056	0.0726	0.0724
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.056	0.0726	0.0726
Echinococcus granulosus	sterol O acyltransferase 1	0.056	0.0726	0.0726
Brugia malayi	MBOAT family protein	0.056	0.0726	0.0702
Schistosoma mansoni	nephrin	0.0096	0.0002	0.0002
Schistosoma mansoni	sterol O-acyltransferase 1	0.056	0.0726	0.0726
Trichomonas vaginalis	porcupine, putative	0.056	0.0726	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.056	0.0726	0.5
Entamoeba histolytica	vacuolar protein sorting 26	0.056	0.0726	0.5
Loa Loa (eye worm)	hhat protein	0.056	0.0726	0.0726
Echinococcus granulosus	epidermal growth factor receptor	0.0335	0.0374	0.0374
Leishmania major	glycerol uptake protein, putative	0.056	0.0726	0.5
Brugia malayi	Hhat protein	0.056	0.0726	0.0702
Trypanosoma brucei	glycerol uptake protein, putative	0.056	0.0726	0.5
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.6495	1	1
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.056	0.0726	0.0726
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0111	0.0026	0.0023
Brugia malayi	MBOAT family protein	0.056	0.0726	0.0702
Echinococcus multilocularis	zinc finger protein	0.5935	0.9125	0.9125
Echinococcus multilocularis	epidermal growth factor receptor	0.0335	0.0374	0.0372
Echinococcus multilocularis		0.0102	0.001	0.0008
Echinococcus granulosus	epidermal growth factor receptor	0.0183	0.0137	0.0137
Loa Loa (eye worm)	hhat protein	0.056	0.0726	0.0726
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.056	0.0726	0.0726
Trypanosoma cruzi	GUP1, putative	0.056	0.0726	0.5
Brugia malayi	MBOAT family protein	0.056	0.0726	0.0702
Trichomonas vaginalis	conserved hypothetical protein	0.056	0.0726	0.5
Trypanosoma cruzi	GUP1, putative	0.056	0.0726	0.5
Schistosoma mansoni	tyrosine kinase	0.0174	0.0124	0.0124
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.056	0.0726	0.0726
Echinococcus multilocularis	epidermal growth factor receptor	0.0183	0.0137	0.0135
Trichomonas vaginalis	conserved hypothetical protein	0.056	0.0726	0.5
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.056	0.0726	0.0726
Loa Loa (eye worm)	TK/INSR protein kinase	0.0111	0.0026	0.0026
Echinococcus granulosus	o acyltransferase membrane bound domain	0.056	0.0726	0.0726
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.056	0.0726	0.0724
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.056	0.0726	0.0724
Trypanosoma cruzi	glycerol uptake protein, putative	0.056	0.0726	0.5
Trichomonas vaginalis	transmembrane protein nessy, putative	0.056	0.0726	0.5
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0183	0.0137	0.0137
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0225	0.0204	0.0201
Brugia malayi	Furin-like cysteine rich region family protein	0.0335	0.0374	0.035
Echinococcus multilocularis	roundabout 2	0.012	0.0039	0.0037
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0335	0.0374	0.0374
Echinococcus granulosus	twitchin	0.0096	0.0002	0.0002
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.056	0.0726	0.0724
Schistosoma mansoni	tyrosine kinase	0.0111	0.0026	0.0026
Leishmania major	glycerol uptake protein, putative	0.056	0.0726	0.5
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.056	0.0726	0.0726
Schistosoma mansoni	tyrosine kinase	0.0183	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.056	0.0726	0.0726
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.056	0.0726	0.0726

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.89 ug ml-1	Antileishmanial activity against promastigotes form of Leishmania major after 72 hr by cell counting using neubaur chamber	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Leishmania major	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: CHEMBL2235720

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 1810744