TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 501.359 | Formula: C20H19Cl2FN4O4S
H donors: 2 H acceptors: 3 LogP: 2.92 Rotable bonds: 5
Rule of 5 violations (Lipinski): 2
SMILES: C[C@H](c1c(Cl)ccc(c1Cl)F)Oc1c(N)ncc2c1occ2C1=CCN(CC1)S(=O)(=O)N
InChi: 1S/C20H19Cl2FN4O4S/c1-10(16-14(21)2-3-15(23)17(16)22)31-19-18-12(8-26-20(19)24)13(9-30-18)11-4-6-27(7-5-11)32(25,28)29/h2-4,8-10H,5-7H2,1H3,(H2,24,26)(H2,25,28,29)/t10-/m1/s1
InChiKey: SOFIJJPAHAAJKO-SNVBAGLBSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	MET proto-oncogene, receptor tyrosine kinase	Starlite/ChEMBL	References

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
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0008	0	0.5
Brugia malayi	multidrug resistance related protein 1	0.0033	1	1
Brugia malayi	Sema domain containing protein	0.0009	0.0367	0.0367
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0008	0	0.5
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0033	1	1
Echinococcus multilocularis	hypothetical protein	0.0009	0.0367	0.0367
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0033	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0008	0	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0008	0	0.5
Plasmodium vivax	multidrug resistance-associated protein 2, putative	0.0008	0	0.5
Echinococcus granulosus	multidrug resistance associated protein 4	0.0026	0.6976	0.6976
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0367	0.0367
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0008	0	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0008	0	0.5
Trypanosoma cruzi	hypothetical protein	0.0026	0.6976	0.6976
Schistosoma mansoni	multidrug resistance protein	0.0033	1	1
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0033	1	1
Plasmodium vivax	ABC transporter B family member 6, putative	0.0008	0	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0008	0	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0008	0	0.5
Loa Loa (eye worm)	plexin A	0.0025	0.6578	0.6578
Loa Loa (eye worm)	hypothetical protein	0.0033	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0367	0.0367
Echinococcus granulosus	multidrug resistance associated protein 1	0.0033	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0008	0	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0008	0	0.5
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0033	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0367	0.0367
Onchocerca volvulus		0.0009	0.0367	0.0722
Echinococcus granulosus	semaphorin 5B	0.0009	0.0367	0.0367
Trichomonas vaginalis	taga, putative	0.0008	0	0.5
Echinococcus multilocularis	semaphorin 5B	0.0009	0.0367	0.0367
Entamoeba histolytica	ABC transporter, putative	0.0033	1	1
Plasmodium falciparum	ABC transporter B family member 7, putative	0.0008	0	0.5
Plasmodium falciparum	multidrug resistance-associated protein 1	0.0008	0	0.5
Brugia malayi	hypothetical protein	0.0009	0.0367	0.0367
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0033	1	1
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0008	0	0.5
Plasmodium falciparum	ABC transporter B family member 6, putative	0.0008	0	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0008	0	0.5
Echinococcus granulosus	multidrug resistance associated protein 7	0.0033	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0008	0	0.5
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0008	0	0.5
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0033	1	1
Leishmania major	pentamidine resistance protein 1	0.0033	1	1
Loa Loa (eye worm)	sema domain-containing protein	0.0009	0.0367	0.0367
Plasmodium falciparum	ABC transporter B family member 3, putative	0.0008	0	0.5
Loa Loa (eye worm)	multidrug resistance-associated protein	0.0026	0.7082	0.7082
Entamoeba histolytica	multidrug resistance protein, putative	0.0033	1	1
Trichomonas vaginalis	abcb9, putative	0.0008	0	0.5
Schistosoma mansoni	hypothetical protein	0.0012	0.1701	0.1701
Schistosoma mansoni	plexin	0.0021	0.5092	0.5092
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0008	0	0.5
Loa Loa (eye worm)	sema domain-containing protein	0.0009	0.0367	0.0367
Plasmodium falciparum	multidrug resistance protein 1	0.0008	0	0.5
Leishmania major	p-glycoprotein e	0.0033	1	1
Plasmodium vivax	ABC transporter B family member 5, putative	0.0008	0	0.5
Plasmodium vivax	multidrug resistance protein 1, putative	0.0008	0	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0008	0	0.5
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0008	0	0.5
Brugia malayi	Plexin repeat family protein	0.0021	0.5092	0.5092
Plasmodium falciparum	ABC transporter B family member 4, putative	0.0008	0	0.5
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0008	0	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0008	0	0.5
Trichomonas vaginalis	ABC transporter, putative	0.0008	0	0.5
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0008	0	0.5
Trichomonas vaginalis	abcb9, putative	0.0008	0	0.5
Giardia lamblia	ABC transporter, putative	0.0033	1	1
Schistosoma mansoni	multidrug resistance protein	0.0033	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0033	1	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0008	0	0.5
Schistosoma mansoni	hypothetical protein	0.0009	0.0367	0.0367
Schistosoma mansoni	multidrug resistance protein	0.0033	1	1
Trichomonas vaginalis	abcb9, putative	0.0008	0	0.5
Giardia lamblia	Multidrug resistance-associated protein 1	0.0033	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0033	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0033	1	1
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0033	1	1
Echinococcus multilocularis	plexin a4	0.0025	0.6578	0.6578
Plasmodium falciparum	multidrug resistance-associated protein 2	0.0008	0	0.5
Giardia lamblia	MRP-like ABC transporter	0.0033	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.1701	0.1701
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0008	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0367	0.0367
Giardia lamblia	Multidrug resistance-associated protein 1	0.0033	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0008	0	0.5
Echinococcus granulosus	semaphorin 1A	0.0009	0.0367	0.0367
Plasmodium falciparum	ABC transporter B family member 5, putative	0.0008	0	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0008	0	0.5
Entamoeba histolytica	hypothetical protein	0.0033	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0008	0	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0008	0	0.5
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0008	0	0.5
Brugia malayi	Sema domain containing protein	0.0009	0.0367	0.0367
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0008	0	0.5
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0008	0	0.5
Echinococcus multilocularis	multidrug resistance associated protein 4	0.0026	0.6976	0.6976
Leishmania major	ABC-thiol transporter	0.0033	1	1
Schistosoma mansoni	multidrug resistance protein	0.0033	1	1
Schistosoma mansoni	hypothetical protein	0.0009	0.0367	0.0367
Mycobacterium tuberculosis	Probable drugs-transport transmembrane ATP-binding protein ABC transporter	0.0008	0	0.5
Plasmodium falciparum	multidrug resistance protein 2	0.0008	0	0.5
Plasmodium vivax	ABC transporter B family member 7, putative	0.0008	0	0.5
Trypanosoma brucei	multidrug resistance protein E	0.0033	1	1
Mycobacterium tuberculosis	Iron-regulated transporter IrtA	0.0008	0	0.5
Echinococcus granulosus	plexin a4	0.0025	0.6578	0.6578
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0033	1	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0008	0	0.5
Plasmodium vivax	multidrug resistance-associated protein 1, putative	0.0008	0	0.5
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0008	0	0.5
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0033	1	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.5092	0.5092
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0033	1	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0367	0.0367
Brugia malayi	plexin A	0.0025	0.6578	0.6578
Plasmodium vivax	ABC transporter B family member 3, putative	0.0008	0	0.5
Onchocerca volvulus		0.0021	0.5092	1
Plasmodium vivax	multidrug resistance protein 2, putative	0.0008	0	0.5
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0033	1	1
Schistosoma mansoni	semaphorin 5-related	0.0009	0.0367	0.0367
Brugia malayi	hypothetical protein	0.0009	0.0367	0.0367
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0008	0	0.5
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0033	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.9895	0.9895
Trypanosoma brucei	p-glycoprotein	0.0033	1	1
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0008	0	0.5
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0033	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0008	0	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0008	0	0.5
Plasmodium vivax	ABC transporter B family member 4, putative	0.0008	0	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0008	0	0.5
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0033	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0008	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0367	0.0367
Schistosoma mansoni	plexin	0.0012	0.1701	0.1701

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.55 uM	Inhibition of cMET in human MKN45 cells assessed as phosphorylated MET levels after 4 hrs	ChEMBL.	23773865
IC50 (binding)	= 1 uM	Inhibition of cMET (unknown origin) using biotinylated poly(Glu,Tyr) as substrate after 60 mins	ChEMBL.	23773865

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: CHEMBL2401833

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1780422