TDR Targets

Basic information

Technical information

TDR Targets ID: 172697
Name: 1-cyclopropyl-8-(1,4-diazepan-1-yl)-7-fluoro- 9-methyl-4-oxoquinolizine-3-carboxylic acid
MW: 359.395 | Formula: C19H22FN3O3
H donors: 2 H acceptors: 3 LogP: -0.93 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cn2c(c(c1N1CCNCCC1)C)c(cc(c2=O)C(=O)O)C1CC1
InChi: 1S/C19H22FN3O3/c1-11-16-13(12-3-4-12)9-14(19(25)26)18(24)23(16)10-15(20)17(11)22-7-2-5-21-6-8-22/h9-10,12,21H,2-8H2,1H3,(H,25,26)
InChiKey: LUEMMIDEVWKXNM-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

1-cyclopropyl-8-(1,4-diazepan-1-yl)-7-fluoro-9-methyl-4-oxo-quinolizine-3-carboxylic acid
1-cyclopropyl-8-(1,4-diazepan-1-yl)-7-fluoro-9-methyl-4-oxo-3-quinolizinecarboxylic acid
1-cyclopropyl-8-(1,4-diazepan-1-yl)-7-fluoro-4-keto-9-methyl-quinolizine-3-carboxylic acid

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
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0223	0.0481	0.0481
Loa Loa (eye worm)	hypothetical protein	0.0448	0.1047	0.1047
Brugia malayi	Disintegrin family protein	0.0992	0.2419	0.8525
Onchocerca volvulus	Matrilysin homolog	0.0448	0.1047	0.4322
Loa Loa (eye worm)	angiogenesis inhibito	0.012	0.0221	0.0221
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0881	0.2139	0.5375
Echinococcus multilocularis	adam	0.1158	0.2837	0.7053
Mycobacterium ulcerans	hydrolase	0.0545	0.1293	0.5
Echinococcus granulosus	adam 17 protease	0.2129	0.5286	1
Echinococcus granulosus	dnaJ subfamily B	0.0438	0.1021	0.1932
Loa Loa (eye worm)	reprolysin	0.0881	0.2139	0.2139
Echinococcus granulosus	subfamily M12B unassigned peptidase	0.0881	0.2139	0.4047
Brugia malayi	metalloprotease disintegrin 16 with thrombospondin type I motif	0.0761	0.1836	0.6471
Brugia malayi	ADAMTS-like protease	0.0505	0.1192	0.4202
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0015	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0505	0.1192	0.1192
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0448	0.1047	0.263
Entamoeba histolytica	hypothetical protein	0.0038	0.0015	0.5
Brugia malayi	metalloprotease	0.012	0.0221	0.0777
Entamoeba histolytica	hypothetical protein	0.0038	0.0015	0.5
Echinococcus multilocularis	adam 17 protease	0.1611	0.398	0.9894
Loa Loa (eye worm)	matrixin family protein	0.1083	0.2647	0.2647
Loa Loa (eye worm)	metalloprotease	0.012	0.0221	0.0221
Schistosoma mansoni	hypothetical protein	0.0438	0.1021	0.2566
Loa Loa (eye worm)	hypothetical protein	0.0505	0.1192	0.1192
Brugia malayi	Pre-SET motif family protein	0.0223	0.0481	0.1695
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0319	0.0723	0.1815
Brugia malayi	hypothetical protein	0.0038	0.0015	0.0052
Schistosoma mansoni	hypothetical protein	0.0635	0.1518	0.3816
Loa Loa (eye worm)	hypothetical protein	0.012	0.0221	0.0221
Onchocerca volvulus	Matrilysin homolog	0.0993	0.2422	1
Loa Loa (eye worm)	hypothetical protein	0.0773	0.1865	0.1865
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.001	0.0034
Brugia malayi	Matrixin family protein	0.1083	0.2647	0.9332
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0015	0.0028
Mycobacterium leprae	PROBABLE HYDROLASE	0.0545	0.1293	0.5
Brugia malayi	Reprolysin	0.0363	0.0833	0.2936
Entamoeba histolytica	hypothetical protein	0.0038	0.0015	0.5
Echinococcus multilocularis	a disintegrin and metalloproteinase with	0.0761	0.1836	0.4564
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0052	0.0184
Brugia malayi	angiogenesis inhibito	0.0505	0.1192	0.4202
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0052	0.0052
Echinococcus multilocularis	dnaJ subfamily B	0.0438	0.1021	0.2539
Loa Loa (eye worm)	hypothetical protein	0.0036	0.001	0.001
Brugia malayi	Matrixin family protein	0.0448	0.1047	0.369
Echinococcus multilocularis	Blood coagulation inhibitor, Disintegrin	0.1625	0.4013	0.9978
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0545	0.1293	0.4557
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0545	0.1293	0.5
Onchocerca volvulus		0.0254	0.0558	0.2306
Brugia malayi	Hemopexin family protein	0.0635	0.1518	0.5353
Schistosoma mansoni	hypothetical protein	0.0036	0.001	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0385	0.0889	0.0889
Schistosoma mansoni	ADAMTS14 peptidase (M12 family)	0.012	0.0221	0.0554
Loa Loa (eye worm)	disintegrin family protein	0.0474	0.1112	0.1112
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0052	0.0052
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.1628	0.4022	1
Plasmodium vivax	SET domain protein, putative	0.0033	0	0.5
Echinococcus multilocularis	subfamily M12B unassigned peptidase	0.0881	0.2139	0.5318
Loa Loa (eye worm)	hypothetical protein	0.0545	0.1293	0.1293
Echinococcus granulosus	Blood coagulation inhibitor Disintegrin	0.1625	0.4013	0.7593
Trichomonas vaginalis	set domain proteins, putative	0.0254	0.0558	0.5
Schistosoma mansoni	adam (A disintegrin and metalloprotease	0.1158	0.2837	0.7129
Brugia malayi	Matrixin family protein	0.0448	0.1047	0.369
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.1628	0.4022	0.761
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.0068	1
Loa Loa (eye worm)	hypothetical protein	0.0448	0.1047	0.1047
Brugia malayi	hypothetical protein	0.1158	0.2837	1
Loa Loa (eye worm)	matrixin family protein	0.0993	0.2422	0.2422
Echinococcus granulosus	a disintegrin and metalloproteinase with	0.0761	0.1836	0.3473
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0993	0.2422	1
Schistosoma mansoni	subfamily M12B unassigned peptidase (M12 family)	0.0881	0.2139	0.5375
Schistosoma mansoni	ADAM17 peptidase (M12 family)	0.1611	0.398	1
Loa Loa (eye worm)	hypothetical protein	0.0448	0.1047	0.1047
Schistosoma mansoni	dihydroceramide desaturase	0.0992	0.2419	0.6077
Loa Loa (eye worm)	matrix metalloproteinase	0.0448	0.1047	0.1047
Onchocerca volvulus		0.0635	0.1518	0.627
Entamoeba histolytica	hypothetical protein	0.0038	0.0015	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0066	0.0085	0.0214
Brugia malayi	Matrixin family protein	0.0448	0.1047	0.369
Onchocerca volvulus		0.0448	0.1047	0.4322
Brugia malayi	ADAM-TS Spacer 1 family protein	0.0505	0.1192	0.4202
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0052	0.0184
Echinococcus multilocularis	disintegrin and metalloproteinase	0.0992	0.2419	0.6013
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0015	0.0037
Brugia malayi	Matrixin family protein	0.0448	0.1047	0.369
Echinococcus granulosus	adam	0.1158	0.2837	0.5367
Schistosoma mansoni	ADAMTS5 peptidase (M12 family)	0.0761	0.1836	0.4613
Schistosoma mansoni	hypothetical protein	0.0038	0.0015	0.0037
Echinococcus granulosus	disintegrin and metalloproteinase	0.0992	0.2419	0.4576

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	= 0.02 ug ml-1	In vitro antibacterial against gram-negative organism Escherichia coli JUHL	ChEMBL.	8759628
MIC (functional)	= 0.02 ug ml-1	In vitro antibacterial against gram-negative organism Escherichia coli JUHL	ChEMBL.	8759628
MIC (functional)	= 0.05 ug ml-1	In vitro antibacterial activity against gram-negative organism K. pneumoniae ATCC-8045	ChEMBL.	8759628
MIC (functional)	= 0.05 ug ml-1	In vitro antibacterial activity against gram-negative organism K. pneumoniae ATCC-8045	ChEMBL.	8759628
MIC (functional)	= 0.1 ug ml-1	In vitro antibacterial activity against gram-positive organism Staphylococcus aureus ATCC 6538p	ChEMBL.	8759628
MIC (functional)	= 0.1 ug ml-1	In vitro antibacterial activity against gram-negative organism Enterococcus aerogenes ATCC-13048	ChEMBL.	8759628
MIC (functional)	= 0.1 ug ml-1	In vitro antibacterial activity against gram-positive organism Staphylococcus aureus ATCC 6538p	ChEMBL.	8759628
MIC (functional)	= 0.1 ug ml-1	In vitro antibacterial activity against gram-negative organism Enterococcus aerogenes ATCC-13048	ChEMBL.	8759628
MIC (functional)	= 0.2 ug ml-1	In vitro antibacterial activity against gram-positive organism Staphylococcus aureus NCTC10649M	ChEMBL.	8759628
MIC (functional)	= 0.2 ug ml-1	In vitro antibacterial activity of the compound against gram-positive organism Enterococcus faecium ATCC-8043	ChEMBL.	8759628
MIC (functional)	= 0.2 ug ml-1	In vitro antibacterial activity against gram-positive organism Staphylococcus aureus NCTC10649M	ChEMBL.	8759628
MIC (functional)	= 0.2 ug ml-1	In vitro antibacterial activity of the compound against gram-positive organism Enterococcus faecium ATCC-8043	ChEMBL.	8759628
MIC (functional)	= 0.39 ug ml-1	In vitro antibacterial activity of the compound against gram-positive organism Streptococcus pyogenes EES61	ChEMBL.	8759628
MIC (functional)	= 0.78 ug ml-1	In vitro antibacterial activity against gram-positive organism Streptococcus bovis A-5169	ChEMBL.	8759628
MIC (functional)	= 0.78 ug ml-1	In vitro antibacterial activity against gram-negative organism Pseudomonas aeruginosa 5007	ChEMBL.	8759628
MIC (functional)	= 0.78 ug ml-1	In vitro antibacterial activity against gram-positive organism Streptococcus bovis A-5169	ChEMBL.	8759628
MIC (functional)	= 3.1 ug ml-1	In vitro antibacterial activity against gram-negative organism Prov. stuartii CMX-640	ChEMBL.	8759628
MIC (functional)	= 3.1 ug ml-1	In vitro antibacterial activity against gram-negative organism Prov. stuartii CMX-640	ChEMBL.	8759628
MIC (functional)	= 6.2 ug ml-1	In vitro antibacterial activity against gram-negative organism Pseudomonas aeruginosa DPHD-2862	ChEMBL.	8759628
MIC (functional)	= 25 ug ml-1	In vitro antibacterial activity against gram-positive organism Staphylococcus aureus 1775	ChEMBL.	8759628
MIC (functional)	= 25 ug ml-1	In vitro antibacterial activity against gram-positive organism Staphylococcus aureus 1775	ChEMBL.	8759628

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: CHEMBL105611
PubChem: 488557

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 172697