TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 394.482 | Formula: C24H27FN2O2
H donors: 2 H acceptors: 2 LogP: 2.06 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCc1ccc(cc1)CNCc1c(C)n(c(c1C(=O)O)C)Cc1ccc(cc1)F
InChi: 1S/C24H27FN2O2/c1-4-18-5-7-19(8-6-18)13-26-14-22-16(2)27(17(3)23(22)24(28)29)15-20-9-11-21(25)12-10-20/h5-12,26H,4,13-15H2,1-3H3,(H,28,29)
InChiKey: AKISXRZHRAHSCR-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
Schistosoma mansoni	hypothetical protein	0.0043	0.0344	0.1455
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0627	0.2957
Schistosoma mansoni	flap endonuclease-1	0.0025	0.0128	0.0314
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.0627	0.0562
Echinococcus granulosus	GPCR family 2	0.0031	0.0205	0.0721
Echinococcus granulosus	dna polymerase eta	0.002	0.0075	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0482	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0098	0.1009	0.2476
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.1009	0.2476
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0105	0.1087	0.5388
Echinococcus multilocularis	flap endonuclease 1	0.0027	0.016	0.0091
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0117	0.1236	1
Onchocerca volvulus	Huntingtin homolog	0.0128	0.1369	0.5
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	0.3498	1
Echinococcus multilocularis	dna polymerase kappa	0.002	0.0075	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0205	0.0359
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0627	0.2957
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0627	0.2957
Echinococcus granulosus	Niemann Pick C1 protein	0.0147	0.1597	0.8092
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0075	0.0607
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.0075	0.0033
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0075	0.0607
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.1009	0.2476
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0075	0.0607
Echinococcus granulosus	dna polymerase kappa	0.002	0.0075	0.0033
Brugia malayi	TAR-binding protein	0.0066	0.0627	0.1471
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1369	0.3425
Schistosoma mansoni	hypothetical protein	0.0031	0.0205	0.0721
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0075	0.0016
Entamoeba histolytica	hypothetical protein	0.0093	0.0952	0.2576
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	0.3498	1
Echinococcus granulosus	tar DNA binding protein	0.0066	0.0627	0.2957
Leishmania major	DNA polymerase kappa, putative	0.002	0.0075	0.0053
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0117	0.1236	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0125	0.133	0.3322
Loa Loa (eye worm)	hypothetical protein	0.0128	0.1369	0.3425
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	0.3498	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0306	0.3498	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0103	0.1068	0.5287
Entamoeba histolytica	Flap nuclease, putative	0.0027	0.016	0.0265
Echinococcus multilocularis	sterol regulatory element binding protein	0.0044	0.0363	0.0296
Echinococcus granulosus	geminin	0.0177	0.1958	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.0075	0.0016
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0075	0.0053
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.002	0.0075	0.004
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0205	0.0359
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.002	0.0075	0.0053
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0117	0.1236	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0103	0.1068	0.1006
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0027	0.016	0.0777
Schistosoma mansoni	hypothetical protein	0.0177	0.1958	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0044	0.0363	0.0774
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0117	0.1236	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0205	0.0721
Echinococcus granulosus	hypothetical protein	0.0028	0.0174	0.0557
Brugia malayi	Temporarily assigned gene name protein 44	0.0029	0.0174	0.0278
Trichomonas vaginalis	conserved hypothetical protein	0.0044	0.0363	0.0857
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0205	0.0359
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0103	0.1068	0.2912
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0075	0.0607
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0075	0.004
Entamoeba histolytica	protein kinase, putative	0.0093	0.0952	0.2576
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0075	0.0607
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0363	0.0774
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.002	0.0069	0.0558
Loa Loa (eye worm)	transcription factor SMAD2	0.0125	0.133	0.3322
Giardia lamblia	Fructose-bisphosphate aldolase	0.0306	0.3498	1
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0117	0.1236	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0205	0.0137
Entamoeba histolytica	protein kinase domain containing protein	0.0093	0.0952	0.2576
Echinococcus granulosus	dual specificity	0.0093	0.0952	0.4676
Echinococcus multilocularis	dual specificity	0.0093	0.0952	0.0889
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0075	0.0607
Schistosoma mansoni	hypothetical protein	0.0031	0.0205	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0946	0.2311
Brugia malayi	MH2 domain containing protein	0.0125	0.133	0.3322
Schistosoma mansoni	patched 1	0.0044	0.0363	0.1556
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0946	0.2311
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0093	0.0952	0.7566
Brugia malayi	tumor suppressor.	0.0337	0.3865	1
Schistosoma mansoni	hypothetical protein	0.0031	0.0205	0.0721
Loa Loa (eye worm)	hypothetical protein	0.0156	0.1706	0.4312
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0117	0.1236	1
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0637	0.1496
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	0.3498	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0117	0.1236	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0637	0.1496
Trichomonas vaginalis	DNA polymerase eta, putative	0.002	0.0075	0.0018
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0627	0.2957
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0205	0.0721
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0117	0.1236	1
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0205	0.0137
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0306	0.3498	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0075	0.0053
Giardia lamblia	DINP protein human, muc B family	0.002	0.0075	0.0018
Schistosoma mansoni	hypothetical protein	0.0067	0.0637	0.3007
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0075	0.0607
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0027	0.016	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	0.3498	1
Echinococcus multilocularis	geminin	0.0177	0.1958	0.1902
Trypanosoma brucei	calpain-like protein, putative	0.0117	0.1236	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.0627	0.1471
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0075	0.004
Brugia malayi	RNA binding protein	0.0066	0.0627	0.1471
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0117	0.1236	1
Brugia malayi	hypothetical protein	0.0128	0.1369	0.3425
Plasmodium falciparum	flap endonuclease 1	0.0027	0.016	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0117	0.1236	1
Trypanosoma brucei	unspecified product	0.002	0.0075	0.0607
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.0627	0.1471
Echinococcus multilocularis	dna polymerase eta	0.002	0.0075	0.0006
Brugia malayi	Protein kinase domain containing protein	0.0093	0.0952	0.2326
Schistosoma mansoni	DNA polymerase eta	0.002	0.0075	0.0033
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0117	0.1236	1
Plasmodium vivax	flap endonuclease 1, putative	0.0027	0.016	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0075	0.0016
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0075	0.0016
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0205	0.0137
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0093	0.0952	0.7702
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0075	0.0607
Schistosoma mansoni	hypothetical protein	0.0028	0.0174	0.0557
Loa Loa (eye worm)	RNA binding protein	0.0066	0.0627	0.1471
Brugia malayi	Muscleblind-like protein	0.0156	0.1706	0.4312
Echinococcus multilocularis	protein patched	0.0044	0.0363	0.0296
Giardia lamblia	Flap structure-specific endonuclease	0.0027	0.016	0.0265
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0117	0.1236	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.002	0.0069	0.5
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0093	0.0952	0.7566
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0075	0.0607
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.0075	0.0033
Schistosoma mansoni	hypothetical protein	0.0177	0.1958	1
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0075	0.0607
Schistosoma mansoni	hypothetical protein	0.0043	0.0344	0.1455
Schistosoma mansoni	serine/threonine protein kinase	0.0093	0.0952	0.4676
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.015	0.1623	1
Entamoeba histolytica	protein kinase, putative	0.0093	0.0952	0.2576
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.015	0.1623	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0117	0.1236	1
Trichomonas vaginalis	flap endonuclease-1, putative	0.0027	0.016	0.0265
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0093	0.0952	0.7566
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0075	0.0607
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.1009	0.2476
Echinococcus granulosus	muscleblind protein	0.0156	0.1706	0.8668
Leishmania major	DNA polymerase eta, putative	0.002	0.0075	0.0053
Entamoeba histolytica	deoxycytidyl transferase, putative	0.002	0.0075	0.0018
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0027	0.016	0.0777
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.0627	0.2957
Trypanosoma brucei	DNA polymerase eta, putative	0.002	0.0075	0.0607
Echinococcus multilocularis	expressed conserved protein	0.0097	0.0993	0.093
Echinococcus multilocularis	protein dispatched 1	0.0051	0.0438	0.0371
Loa Loa (eye worm)	hypothetical protein	0.0156	0.1706	0.4312
Brugia malayi	hypothetical protein	0.0029	0.0174	0.0278
Brugia malayi	Niemann-Pick C1 protein precursor	0.0103	0.1068	0.263
Loa Loa (eye worm)	flap endonuclease-1	0.0027	0.016	0.0239
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0075	0.0053
Trypanosoma cruzi	DNA polymerase eta, putative	0.002	0.0075	0.0053
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.015	0.1623	0.5
Echinococcus granulosus	sterol regulatory element binding protein	0.0044	0.0363	0.1556
Brugia malayi	CHE-14 protein	0.0044	0.0363	0.0774
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0075	0.0053
Echinococcus multilocularis	muscleblind protein 1	0.0156	0.1706	0.1648
Schistosoma mansoni	hypothetical protein	0.0043	0.0344	0.1455
Echinococcus granulosus	expressed conserved protein	0.0097	0.0993	0.4891
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.0627	0.1471
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.0075	0.0006
Trypanosoma brucei	variant surface glycoprotein (VSG), putative	0.0117	0.1236	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	0.3498	1
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.002	0.0075	0.0018
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0027	0.016	0.1291
Trypanosoma brucei	hypothetical protein	0.0117	0.1236	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0147	0.1597	0.1539
Treponema pallidum	fructose-bisphosphate aldolase	0.0306	0.3498	1
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.0075	0.0033
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0075	0.0607
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0205	0.0721
Schistosoma mansoni	hypothetical protein	0.0028	0.0174	0.0557
Echinococcus granulosus	protein quaking	0.0028	0.0174	0.0557
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0093	0.0952	0.2326
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0174	0.0278
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0.0075	0.004
Loa Loa (eye worm)	tumor suppressor	0.0337	0.3865	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0117	0.1236	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	0.3498	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0306	0.3498	1
Trypanosoma brucei	calpain, putative	0.0117	0.1236	1
Echinococcus multilocularis	protein quaking	0.0028	0.0174	0.0106
Echinococcus multilocularis	muscleblind protein	0.0156	0.1706	0.1648
Echinococcus granulosus	Protein patched homolog 1	0.0044	0.0363	0.1556
Schistosoma mansoni	hypothetical protein	0.0043	0.0344	0.1455
Onchocerca volvulus	Huntingtin homolog	0.0128	0.1369	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0075	0.0607
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0205	0.0359
Echinococcus granulosus	flap endonuclease 1	0.0027	0.016	0.048
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1068	0.263
Brugia malayi	Flap endonuclease-1	0.0027	0.016	0.0239

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 828625