TDR Targets

Basic information

Technical information

TDR Targets ID: 164642
Name: 6-(4-fluorophenyl)-N,N-dimethyl-3-(3-pyridin- 3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7 -carbonyl)indole-1-sulfonamide
MW: 546.636 | Formula: C28H23FN4O3S2
H donors: 0 H acceptors: 4 LogP: 4.31 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: Fc1ccc(cc1)c1ccc2c(c1)n(cc2C(=O)c1ccn2c1CSC2c1cccnc1)S(=O)(=O)N(C)C
InChi: 1S/C28H23FN4O3S2/c1-31(2)38(35,36)33-16-24(22-10-7-19(14-25(22)33)18-5-8-21(29)9-6-18)27(34)23-11-13-32-26(23)17-37-28(32)20-4-3-12-30-15-20/h3-16,28H,17H2,1-2H3
InChiKey: PINWIINHJNCKPZ-UHFFFAOYSA-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

6-(4-fluorophenyl)-N,N-dimethyl-3-[3-(3-pyridyl)-1,3-dihydropyrrolo[1,2-c]thiazole-7-carbonyl]indole-1-sulfonamide
6-(4-fluorophenyl)-N,N-dimethyl-3-[oxo-[3-(3-pyridyl)-1,3-dihydropyrrolo[1,2-c]thiazol-7-yl]methyl]-1-indolesulfonamide
6-(4-fluorophenyl)-N,N-dimethyl-3-[(3-pyridin-3-yl-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-7-yl)carbonyl]indole-1-sulfonamide
6-(4-fluorophenyl)-N,N-dimethyl-3-(3-pyridin-3-yl1,3-dihydropyrrolo[1,2-c][1,3]thiazole-7-carbonyl)indole-1-sulfonamide
6-(4-fluorophenyl)-N,N-dimethyl-3-[3-(3-pyridyl)1,3-dihydropyrrolo[1,2-c]thiazole-7-carbonyl]indole-1-sulfonamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Cavia porcellus	Platelet activating factor receptor	Starlite/ChEMBL	No 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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	tachykinin peptides receptor 99D	Platelet activating factor receptor	342 aa	314 aa	21.3 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	394 aa	20.3 %
Schistosoma mansoni	neuropeptide F-like receptor	Platelet activating factor receptor	342 aa	325 aa	22.2 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	295 aa	21.7 %
Echinococcus granulosus	neuropeptide receptor	Platelet activating factor receptor	342 aa	304 aa	23.4 %
Loa Loa (eye worm)	hypothetical protein	Platelet activating factor receptor	342 aa	355 aa	22.5 %
Echinococcus multilocularis	rhodopsin orphan GPCR	Platelet activating factor receptor	342 aa	278 aa	16.5 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	319 aa	21.6 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	320 aa	24.7 %
Echinococcus granulosus	rhodopsin orphan GPCR	Platelet activating factor receptor	342 aa	278 aa	16.5 %
Echinococcus granulosus	allatostatin A receptor	Platelet activating factor receptor	342 aa	334 aa	22.8 %
Echinococcus multilocularis	allatostatin A receptor	Platelet activating factor receptor	342 aa	334 aa	23.4 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	327 aa	21.7 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	321 aa	19.6 %
Schistosoma mansoni	neuropeptide receptor	Platelet activating factor receptor	342 aa	292 aa	20.5 %
Echinococcus multilocularis	neuropeptide receptor	Platelet activating factor receptor	342 aa	303 aa	23.1 %
Schistosoma japonicum	ko:K04209 neuropeptide Y receptor, invertebrate, putative	Platelet activating factor receptor	342 aa	340 aa	23.8 %
Schistosoma mansoni	neuropeptide receptor	Platelet activating factor receptor	342 aa	338 aa	24.9 %
Schistosoma japonicum	ko:K04134 cholinergic receptor, invertebrate, putative	Platelet activating factor receptor	342 aa	283 aa	20.5 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	300 aa	21.0 %
Schistosoma mansoni	opsin-like receptor	Platelet activating factor receptor	342 aa	318 aa	21.7 %
Onchocerca volvulus	Cyclin-dependent kinase 20 homolog	Platelet activating factor receptor	342 aa	383 aa	23.8 %
Schistosoma mansoni	peptide (allatostatin)-like receptor	Platelet activating factor receptor	342 aa	344 aa	25.6 %
Onchocerca volvulus		Platelet activating factor receptor	342 aa	342 aa	19.6 %
Echinococcus granulosus	g-protein coupled receptor	Platelet activating factor receptor	342 aa	352 aa	22.2 %
Echinococcus multilocularis	g-protein coupled receptor	Platelet activating factor receptor	342 aa	351 aa	22.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0367	0.008
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0052	0.136	0.1444
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0052	0.136	0.136
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0552	0.2419
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0059	0.1591	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0407	0.1055
Onchocerca volvulus		0.0289	0.9416	1
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0052	0.136	1
Echinococcus multilocularis	sn1 specific diacylglycerol lipase beta	0.0289	0.9416	0.9416
Schistosoma mansoni	caspase-7 (C14 family)	0.003	0.0604	0.0604
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0052	0.136	0.5
Schistosoma mansoni	immunophilin	0.0052	0.136	0.136
Leishmania major	fk506-binding protein 1-like protein	0.0052	0.136	0.1168
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0045	0.1114	0.1114
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.1591	0.1591
Brugia malayi	amidase	0.0099	0.2958	0.3141
Echinococcus multilocularis	snurportin 1	0.0306	1	1
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0052	0.136	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0367	0.008
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0407	0.0123
Echinococcus granulosus	sn1 specific diacylglycerol lipase beta	0.0289	0.9416	0.9416
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0407	0.0407
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.1591	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0407	0.0123
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0099	0.2958	0.2958
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0306	1	1
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0052	0.136	0.136
Brugia malayi	hypothetical protein	0.0024	0.0407	0.0432
Plasmodium falciparum	importin beta, putative	0.0029	0.0552	0.2419
Loa Loa (eye worm)	hypothetical protein	0.003	0.0604	0.0604
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0052	0.136	0.1168
Loa Loa (eye worm)	hypothetical protein	0.003	0.0604	0.0604
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0052	0.136	0.136
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0059	0.1591	0.1422
Loa Loa (eye worm)	FKBP5 protein	0.0052	0.136	0.136
Schistosoma mansoni	hypothetical protein	0.003	0.0604	0.0604
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0407	0.4363
Onchocerca volvulus	Cell death protein 3 homolog	0.003	0.0604	0.0641
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.136	0.1168
Loa Loa (eye worm)	hypothetical protein	0.0045	0.1114	0.1114
Leishmania major	hypothetical protein, conserved	0.0289	0.9416	1
Schistosoma mansoni	ran	0.0021	0.0294	0.0294
Schistosoma mansoni	amidase	0.0099	0.2958	0.2958
Leishmania major	peptidylprolyl isomerase-like protein	0.0052	0.136	0.1168
Trichomonas vaginalis	lipase containing protein, putative	0.0289	0.9416	1
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0059	0.1591	0.1591
Schistosoma mansoni	immunophilin	0.0045	0.1114	0.1114
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0552	0.0283
Schistosoma mansoni	hypothetical protein	0.0024	0.0388	0.0388
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0294	0.0294
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0099	0.2958	0.2958
Brugia malayi	hypothetical protein	0.0016	0.0112	0.0119
Schistosoma mansoni	importin beta-1	0.0029	0.0552	0.0552
Brugia malayi	hypothetical protein	0.003	0.0604	0.0641
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0552	0.0552
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0052	0.136	0.136
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0552	0.0552
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0552	0.0552
Schistosoma mansoni	immunophilin	0.0052	0.136	0.136
Echinococcus granulosus	apoptotic protease activating factor 1	0.003	0.0604	0.0604
Brugia malayi	Lipase family protein	0.0289	0.9416	1
Loa Loa (eye worm)	hypothetical protein	0.0099	0.2958	0.2958
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0059	0.1591	1
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0052	0.136	0.1168
Trichomonas vaginalis	lipase containing protein, putative	0.0289	0.9416	1
Trichomonas vaginalis	immunophilin, putative	0.0052	0.136	0.1168
Brugia malayi	Cell death protein 3 precursor	0.003	0.0604	0.0641
Echinococcus granulosus	caspase 2	0.003	0.0604	0.0604
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.136	0.1168
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0552	1
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0052	0.136	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0407	0.1055
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0099	0.2958	0.2958
Trypanosoma brucei	lipase domain protein, putative	0.0289	0.9416	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0552	0.0283
Schistosoma mansoni	ran	0.0021	0.0294	0.0294
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0052	0.136	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0367	0.008
Echinococcus multilocularis	caspase 2	0.003	0.0604	0.0604
Echinococcus multilocularis	fk506 binding protein	0.0052	0.136	0.136
Loa Loa (eye worm)	lipase	0.0289	0.9416	0.9416
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0052	0.136	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0407	0.0123
Trypanosoma cruzi	hypothetical protein, conserved	0.0289	0.9416	1
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0367	0.008
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0294	0.0312
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0059	0.1591	0.1591
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0052	0.136	0.1168
Schistosoma mansoni	hypothetical protein	0.0306	1	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0099	0.2958	0.2958
Brugia malayi	Importin beta-1 subunit	0.0029	0.0552	0.0586
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0059	0.1591	0.169
Trichomonas vaginalis	fk506-binding protein, putative	0.0052	0.136	0.1168
Entamoeba histolytica	hypothetical protein	0.0023	0.0367	0.0686
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0294	0.0294
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0052	0.136	0.1444
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0052	0.136	1
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0367	0.008
Trypanosoma brucei	lipase domain protein, putative	0.0289	0.9416	1
Brugia malayi	RNA, U transporter 1	0.0082	0.2352	0.2498
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0294	0.0294
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.0407	0.1055
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0052	0.136	0.1168
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0045	0.1114	0.1114
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0052	0.136	0.1168
Onchocerca volvulus		0.003	0.0604	0.0641
Schistosoma mansoni	fatty-acid amide hydrolase	0.0099	0.2958	0.2958
Trypanosoma cruzi	hypothetical protein, conserved	0.0289	0.9416	1
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0055	0.1455	0.1455
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0052	0.136	0.136
Echinococcus multilocularis	apoptotic protease activating factor 1	0.003	0.0604	0.0604
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0052	0.136	0.1168
Leishmania major	hypothetical protein, conserved	0.0024	0.0407	0.0123

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	0 mg kg-1	In vivo activity of the compound was determined by inhibition of PAF-induced cutaneous vascular permeability in rats after peroral administration; ND : Not determined	ChEMBL.	No reference
ED50 (functional)	= 5.5 mg kg-1	xIn vivo activity of the compound was determined by inhibition of PAF-induced cutaneous vascular permeability in rats after peroral administration	ChEMBL.	No reference
Ki (functional)	= 940 nM	Tested in vitro for antagonistic activity to displace [3H]-PAF from rabbit platelet membrane PAF receptors	ChEMBL.	No reference
Ki (functional)	= 940 nM	Tested in vitro for antagonistic activity to displace [3H]-PAF from rabbit platelet membrane PAF receptors	ChEMBL.	No reference

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: CHEMBL101760
PubChem: 15292716

Bibliographic References

No literature references available for this target.

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Detailed information for compound 164642