TDR Targets

Basic information

Technical information

TDR Targets ID: 754202
Name: (3aS,4R,9bR)-6-fluoro-4-(4-methoxy-3-nitrophe nyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]qui noline
MW: 340.348 | Formula: C19H17FN2O3
H donors: 1 H acceptors: 2 LogP: 4.28 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1[N+](=O)[O-])[C@@H]1Nc2c(F)cccc2[C@H]2[C@H]1CC=C2
InChi: 1S/C19H17FN2O3/c1-25-17-9-8-11(10-16(17)22(23)24)18-13-5-2-4-12(13)14-6-3-7-15(20)19(14)21-18/h2-4,6-10,12-13,18,21H,5H2,1H3/t12-,13+,18+/m1/s1
InChiKey: JLGXPLMOEUEIGL-VBHSOAQHSA-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

(3aS,4R,9bR)-6-fluoro-4-(4-methoxy-3-nitro-phenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline

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
Entamoeba histolytica	hypothetical protein	0.0071	0.0728	0.7311
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.1088	0.1086
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0071	0.0728	0.0726
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.1088	0.4274
Mycobacterium tuberculosis	Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD)	0.0042	0.0285	0.0942
Echinococcus granulosus	GPCR family 2	0.0048	0.0387	0.0384
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.018	0.0596
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.004	0.0257	0.1723
Trypanosoma cruzi	Glucose-6-phosphate dehydrogenase, putative	0.0039	0.0239	0.1604
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1526	0.5991
Toxoplasma gondii	LsmAD domain-containing protein	0.0052	0.0434	0.1959
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.012	0.1476	1
Echinococcus multilocularis	tar DNA binding protein	0.0191	0.2547	0.2545
Brugia malayi	beta-lactamase family protein	0.0035	0.018	0.0708
Treponema pallidum	glucose-6-phosphate 1-dehydrogenase	0.012	0.1476	0.5
Schistosoma mansoni	hypothetical protein	0.0048	0.0387	0.0384
Echinococcus granulosus	tar DNA binding protein	0.0191	0.2547	0.2545
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0153	0.1975	0.7756
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.012	0.1476	0.1474
Schistosoma mansoni	hypothetical protein	0.0071	0.0728	0.0726
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1088	0.1086
Loa Loa (eye worm)	cytochrome P450 family protein	0.0053	0.0452	0.1776
Plasmodium falciparum	basic transcription factor 3b, putative	0.007	0.0717	0.2712
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.018	0.1222
Schistosoma mansoni	caspase-7 (C14 family)	0.0032	0.014	0.0137
Schistosoma mansoni	hypothetical protein	0.0682	1	1
Entamoeba histolytica	CAAX prenyl protease family	0.0089	0.0996	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.018	0.0708
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0089	0.0996	0.675
Brugia malayi	beta-lactamase family protein	0.0035	0.018	0.0708
Onchocerca volvulus	Cell death protein 3 homolog	0.0032	0.014	0.0722
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.012	0.1476	1
Leishmania major	cytochrome p450-like protein	0.0023	0.0003	0.0018
Loa Loa (eye worm)	hypothetical protein	0.0035	0.018	0.0708
Onchocerca volvulus		0.0032	0.014	0.0722
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.2547	0.2545
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0032	0.014	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0035	0.018	0.0708
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0003	0.0011
Mycobacterium ulcerans	hypothetical protein	0.0035	0.018	0.1222
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0191	0.2547	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1088	0.1086
Schistosoma mansoni	hypothetical protein	0.0105	0.124	0.1238
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.018	0.0177
Loa Loa (eye worm)	RNA binding protein	0.0191	0.2547	1
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0089	0.0996	0.6744
Echinococcus granulosus	transcription factor btf3	0.007	0.0717	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0124	0.1526	0.5991
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.018	1
Brugia malayi	hypothetical protein	0.0151	0.1937	0.7608
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.2547	0.2545
Onchocerca volvulus	Huntingtin homolog	0.0124	0.1526	0.7875
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0079	0.0844	0.5117
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.0434	0.1959
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.018	0.0177
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0003	0.0011
Brugia malayi	beta-lactamase	0.0035	0.018	0.0708
Onchocerca volvulus		0.0035	0.018	0.0931
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.012	0.1476	1
Leishmania major	hypothetical protein, conserved	0.0052	0.0434	0.2941
Entamoeba histolytica	transcription factor BTF3, putative	0.007	0.0717	0.7194
Leishmania major	basic transcription factor 3a, putative	0.007	0.0717	0.4856
Loa Loa (eye worm)	hypothetical protein	0.0035	0.018	0.0708
Loa Loa (eye worm)	hypothetical protein	0.0032	0.014	0.0549
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.012	0.1476	1
Giardia lamblia	Glucose-6-phosphate 1-dehydrogenase	0.012	0.1476	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.018	0.0596
Mycobacterium leprae	Probable lipase LipE	0.0035	0.018	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0434	0.2929
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0387	0.1521
Loa Loa (eye worm)	hypothetical protein	0.0153	0.1975	0.7756
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.0387	0.1521
Echinococcus multilocularis	geminin	0.0682	1	1
Schistosoma mansoni	hypothetical protein	0.0048	0.0387	0.0384
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.012	0.1476	0.1474
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0153	0.1975	0.7756
Mycobacterium ulcerans	lipase LipD	0.0035	0.018	0.1222
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.0387	0.0384
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0023	0.0003	0.0018
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.012	0.1476	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0052	0.0434	0.2929
Brugia malayi	hypothetical protein	0.0052	0.0434	0.1705
Mycobacterium tuberculosis	Conserved protein	0.0035	0.018	0.0596
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.0387	0.1521
Schistosoma mansoni	hypothetical protein	0.0032	0.014	0.0137
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.012	0.1476	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.007	0.0717	0.414
Brugia malayi	CAAX amino terminal protease family protein	0.0089	0.0996	0.3912
Onchocerca volvulus	Huntingtin homolog	0.0124	0.1526	0.7875
Loa Loa (eye worm)	CYP4Cod1	0.0023	0.0003	0.0011
Echinococcus multilocularis	caspase 2	0.0032	0.014	0.0137
Trypanosoma brucei	transcription factor BTF3, putative	0.007	0.0717	0.4846
Onchocerca volvulus		0.0035	0.018	0.0931
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.018	0.1222
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.018	0.0596
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0089	0.0996	0.6297
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.1088	0.1086
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0089	0.0996	0.0994
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0434	0.1705
Leishmania major	hypothetical protein, conserved	0.0035	0.018	0.1222
Brugia malayi	hypothetical protein	0.0033	0.0157	0.0617
Schistosoma mansoni	hypothetical protein	0.0048	0.0387	0.0384
Loa Loa (eye worm)	hypothetical protein	0.0105	0.124	0.487
Loa Loa (eye worm)	hypothetical protein	0.0035	0.018	0.0708
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.1472	0.5781
Echinococcus multilocularis	GPCR, family 2	0.0048	0.0387	0.0384
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.018	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1937	0.7608
Brugia malayi	hypothetical protein	0.0124	0.1526	0.5991
Loa Loa (eye worm)	hypothetical protein	0.0089	0.0996	0.3912
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1088	0.1086
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.012	0.1476	1
Brugia malayi	RNA recognition motif domain containing protein	0.0191	0.2547	1
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0089	0.0996	0.6744
Schistosoma mansoni	hypothetical protein	0.0025	0.0038	0.0035
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0434	0.2929
Schistosoma mansoni	transcription factor LCR-F1	0.0071	0.0728	0.0726
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.0387	0.0384
Onchocerca volvulus		0.0151	0.1937	1
Loa Loa (eye worm)	beta-lactamase	0.0035	0.018	0.0708
Onchocerca volvulus		0.0035	0.018	0.0931
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.2547	0.2545
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.1088	0.1086
Schistosoma mansoni	hypothetical protein	0.0682	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.018	0.0177
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.018	0.0596
Trichomonas vaginalis	conserved hypothetical protein	0.007	0.0717	0.414
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.012	0.1476	0.5797
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.1088	0.1086
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.2547	0.2545
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0153	0.1975	0.7756
Brugia malayi	TAR-binding protein	0.0191	0.2547	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.018	0.1206
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0071	0.0728	0.0726
Entamoeba histolytica	hypothetical protein	0.007	0.0717	0.7194
Mycobacterium tuberculosis	Conserved protein	0.0035	0.018	0.0596
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0003	0.0011
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.018	0.0596
Echinococcus multilocularis	CAAX prenyl protease 2	0.0089	0.0996	0.0994
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.012	0.1476	0.1474
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.018	0.1206
Plasmodium vivax	basic transcription factor 3b, putative	0.007	0.0717	0.414
Brugia malayi	RNA binding protein	0.0191	0.2547	1
Brugia malayi	Cell death protein 3 precursor	0.0032	0.014	0.0549
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.018	0.0708
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.0387	0.1521
Brugia malayi	hypothetical protein	0.0032	0.014	0.0549
Loa Loa (eye worm)	ICD-1 protein	0.007	0.0717	0.2815
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0089	0.0996	0.6744
Brugia malayi	Cytochrome P450 family protein	0.0053	0.0452	0.1776
Echinococcus granulosus	apoptotic protease activating factor 1	0.0032	0.014	0.0137
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.0387	0.0384
Trypanosoma cruzi	transcription factor btf3, putative	0.007	0.0717	0.4846
Brugia malayi	hypothetical protein	0.0071	0.0728	0.286
Mycobacterium tuberculosis	Conserved protein	0.0035	0.018	0.0596
Mycobacterium ulcerans	beta-lactamase	0.0035	0.018	0.1222
Entamoeba histolytica	hypothetical protein	0.0071	0.0728	0.7311
Trypanosoma cruzi	transcription factor btf3, putative	0.007	0.0717	0.4846
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.018	0.0708
Echinococcus granulosus	caspase 2	0.0032	0.014	0.0137
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.1088	0.4274
Brugia malayi	latrophilin 2 splice variant baaae	0.0105	0.124	0.487
Entamoeba histolytica	hypothetical protein	0.0071	0.0728	0.7311
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.018	0.0596
Brugia malayi	glucose-6-phosphate dehydrogenase	0.012	0.1476	0.5797
Schistosoma mansoni	hypothetical protein	0.0048	0.0387	0.0384
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.012	0.1476	1
Schistosoma mansoni	transcription factor btf3	0.007	0.0717	0.0714
Trichomonas vaginalis	conserved hypothetical protein	0.007	0.0717	0.414
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.3027	1
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.012	0.1476	1
Loa Loa (eye worm)	TAR-binding protein	0.0191	0.2547	1
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.1472	0.5781
Echinococcus granulosus	CAAX prenyl protease 2	0.0089	0.0996	0.0994
Entamoeba histolytica	hypothetical protein	0.0071	0.0728	0.7311
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0079	0.0844	0.5714
Toxoplasma gondii	NAC domain-containing protein	0.007	0.0717	0.414
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0089	0.0996	0.0994
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.012	0.1476	1
Brugia malayi	beta-NAC-like protein	0.007	0.0717	0.2815
Loa Loa (eye worm)	hypothetical protein	0.0032	0.014	0.0549
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0003	0.0011
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.018	0.0596
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.012	0.1476	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.018	0.0708
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.0387	0.0384
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.018	0.1206
Schistosoma mansoni	tar DNA-binding protein	0.0191	0.2547	0.2545
Echinococcus multilocularis	transcription factor btf3	0.007	0.0717	0.0714
Brugia malayi	MH2 domain containing protein	0.012	0.1472	0.5781

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 754202