TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 507.34 | Formula: C22H23FIN3O2
H donors: 1 H acceptors: 2 LogP: 4.53 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CCN(CCOc1cccnc1F)CCNC(=O)c1ccc2c(c1)ccc(c2)I
InChi: 1S/C22H23FIN3O2/c1-2-27(12-13-29-20-4-3-9-25-21(20)23)11-10-26-22(28)18-6-5-17-15-19(24)8-7-16(17)14-18/h3-9,14-15H,2,10-13H2,1H3,(H,26,28)
InChiKey: AZRPSCXBSGLHOK-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

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
Chlamydia trachomatis	glycogen phosphorylase	0.0336	0.1516	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0092	0.0237	0.0237
Loa Loa (eye worm)	hypothetical protein	0.0539	0.2578	0.2578
Schistosoma mansoni	beta-galactosidase	0.0137	0.0473	0.0468
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0092	0.0237	0.0237
Echinococcus multilocularis	glycogen phosphorylase	0.0336	0.1516	0.1516
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0006	0.0006
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0092	0.0237	0.0237
Brugia malayi	ERG2 and Sigma1 receptor like protein	0.1802	0.9179	0.9179
Loa Loa (eye worm)	hypothetical protein	0.0539	0.2578	0.2578
Plasmodium falciparum	transporter, putative	0.0092	0.0237	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0092	0.0237	0.0237
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0006	0.0006
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0092	0.0237	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0237	0.0237
Trichomonas vaginalis	glucosylceramidase, putative	0.028	0.1221	0.2399
Onchocerca volvulus	Glucosylceramidase homolog	0.0184	0.0718	0.0493
Schistosoma mansoni	glycogen phosphorylase	0.0145	0.0518	0.0513
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0006	0.0006
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0092	0.0237	0.0231
Trichomonas vaginalis	glucosylceramidase, putative	0.028	0.1221	0.2399
Echinococcus multilocularis	serotonin transporter	0.0539	0.2578	0.2578
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.1959	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0237	0.0237
Echinococcus granulosus	sodium and chloride dependent glycine	0.0092	0.0237	0.0237
Schistosoma mansoni	hypothetical protein	0.0341	0.1541	0.1536
Loa Loa (eye worm)	serotonin transporter b	0.0539	0.2578	0.2578
Trichomonas vaginalis	glucosylceramidase, putative	0.028	0.1221	0.2399
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0092	0.0237	0.0231
Echinococcus multilocularis	geminin	0.0341	0.1541	0.1541
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0092	0.0237	1
Echinococcus granulosus	Glycosyl transferase family 35	0.0336	0.1516	0.1516
Loa Loa (eye worm)	hypothetical protein	0.0921	0.4573	0.4573
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.028	0.1221	0.1221
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0092	0.0237	0.0237
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0092	0.0237	0.0237
Trichomonas vaginalis	glucosylceramidase, putative	0.028	0.1221	0.2399
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.0371	0.7162
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0336	0.1516	0.131
Echinococcus granulosus	sodium and chloride dependent glycine	0.0092	0.0237	0.0237
Leishmania major	C-8 sterol isomerase-like protein	0.1802	0.9179	1
Brugia malayi	Pre-SET motif family protein	0.0203	0.0822	0.0822
Echinococcus granulosus	vesicular acetylcholine transporter	0.1959	1	1
Echinococcus multilocularis	vesicular acetylcholine transporter	0.1959	1	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0539	0.2578	0.2574
Giardia lamblia	Glycogen phosphorylase	0.0336	0.1516	0.5
Onchocerca volvulus		0.0539	0.2578	0.2398
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0237	0.0237
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0092	0.0237	0.0237
Echinococcus granulosus	glycogen phosphorylase	0.0336	0.1516	0.1516
Schistosoma mansoni	glycogen phosphorylase	0.0336	0.1516	0.1511
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0585	0.2814	1
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0237	0.0237
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.031	0.5975
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0092	0.0237	0.0237
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.031	0.5975
Echinococcus multilocularis	beta galactosidase	0.0137	0.0473	0.0473
Schistosoma mansoni	sodium/chloride dependent transporter	0.0539	0.2578	0.2574
Loa Loa (eye worm)	alpha-L-fucosidase	0.1333	0.6724	0.6724
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.1959	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.028	0.1221	0.2399
Mycobacterium tuberculosis	Probable reductase	0.0105	0.031	0.5975
Toxoplasma gondii	hypothetical protein	0.0092	0.0237	1
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0473	0.0473
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0539	0.2578	0.2578
Plasmodium vivax	amine transporter, putative	0.0092	0.0237	1
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0092	0.0237	0.0237
Entamoeba histolytica	glycogen phosphorylase, putative	0.0336	0.1516	1
Schistosoma mansoni	alpha-l-fucosidase	0.1333	0.6724	0.6723
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0539	0.2578	0.2578
Schistosoma mansoni	sodium/chloride dependent transporter	0.0092	0.0237	0.0231
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0092	0.0237	0.0237
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0019	0.0019
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0092	0.0237	0.0237
Loa Loa (eye worm)	abnormal catecholamine distribution protein 1	0.1159	0.5817	0.5817
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0237	0.0237
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0092	0.0237	0.0231
Schistosoma mansoni	glycogen phosphorylase	0.0336	0.1516	0.1511
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.031	0.5975
Echinococcus granulosus	beta galactosidase	0.0137	0.0473	0.0473
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0237	0.0237
Trichomonas vaginalis	glucosylceramidase, putative	0.028	0.1221	0.2399
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0092	0.0237	0.0231
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0336	0.1516	0.3805
Echinococcus granulosus	geminin	0.0341	0.1541	0.1541
Onchocerca volvulus		0.0232	0.0969	0.075
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.0371	0.7162
Echinococcus multilocularis	glycogen phosphorylase	0.0336	0.1516	0.1516
Echinococcus granulosus	glycogen phosphorylase	0.0336	0.1516	0.1516
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.1802	0.9179	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.0371	1
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.028	0.1221	0.1221
Trypanosoma brucei	C-8 sterol isomerase, putative	0.1802	0.9179	1
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0092	0.0237	0.0231
Brugia malayi	hypothetical protein	0.0092	0.0237	0.0237
Entamoeba histolytica	glycogen phosphorylase, putative	0.0336	0.1516	1
Echinococcus granulosus	synaptic vesicular amine transporter	0.1159	0.5817	0.5817
Loa Loa (eye worm)	hypothetical protein	0.1802	0.9179	0.9179
Loa Loa (eye worm)	norepinephrine transporter	0.0539	0.2578	0.2578
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0336	0.1516	0.3805
Trichomonas vaginalis	glucosylceramidase, putative	0.0193	0.077	0.0246
Plasmodium falciparum	amino acid transporter, putative	0.0092	0.0237	1
Trichomonas vaginalis	set domain proteins, putative	0.0232	0.0969	0.1197
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0203	0.0822	0.0822
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0092	0.0237	0.0237
Toxoplasma gondii	hypothetical protein	0.0092	0.0237	1
Loa Loa (eye worm)	hypothetical protein	0.0539	0.2578	0.2578
Mycobacterium ulcerans	alpha-L-fucosidase	0.1674	0.8511	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.031	0.5975
Trichomonas vaginalis	glucosylceramidase, putative	0.0193	0.077	0.0246
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0092	0.0237	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0137	0.0473	0.0473
Loa Loa (eye worm)	hypothetical protein	0.005	0.0019	0.0019
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0006	0.0006
Echinococcus multilocularis	synaptic vesicular amine transporter	0.1159	0.5817	0.5817
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.0371	0.7162
Loa Loa (eye worm)	glycogen phosphorylase	0.0336	0.1516	0.1516
Echinococcus granulosus	serotonin transporter	0.0539	0.2578	0.2578
Brugia malayi	Abnormal catecholamine distribution protein 1	0.1159	0.5817	0.5817
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0092	0.0237	0.0231
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0092	0.0237	0.0231
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0092	0.0237	0.0237
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0585	0.2814	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0092	0.0237	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0092	0.0237	0.0237
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0145	0.0518	1
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.1674	0.8511	0.8511
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.031	0.5975
Brugia malayi	carbohydrate phosphorylase	0.0336	0.1516	0.1516
Schistosoma mansoni	sodium/chloride dependent transporter	0.0092	0.0237	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0237	0.0237
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0341	0.1541	0.1536
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0336	0.1516	0.1516
Plasmodium vivax	hypothetical protein, conserved	0.0092	0.0237	1
Schistosoma mansoni	vesicular acetylcholine transporter	0.1959	1	1
Echinococcus granulosus	fucosidase alpha L 1 tissue	0.1674	0.8511	0.8511
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0092	0.0237	0.0237
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0019	0.0019
Schistosoma mansoni	vesicular amine transporter	0.1159	0.5817	0.5814
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0092	0.0237	0.0231
Treponema pallidum	sodium- and chloride- dependent transporter	0.0539	0.2578	0.5
Brugia malayi	Alpha-L-fucosidase family protein	0.1333	0.6724	0.6724

Activities

No activities found for this compound.

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: CHEMBL1909026

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 1602434