TDR Targets

Basic information

Technical information

TDR Targets ID: 65875
Name: 5,6-diamino-1-cyclopropyl-7-(4-methylpiperazi n-1-yl)-4-oxoquinoline-3-carboxylic acid
MW: 357.407 | Formula: C18H23N5O3
H donors: 3 H acceptors: 3 LogP: -1.17 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)c1cc2c(c(c1N)N)c(=O)c(cn2C1CC1)C(=O)O
InChi: 1S/C18H23N5O3/c1-21-4-6-22(7-5-21)13-8-12-14(16(20)15(13)19)17(24)11(18(25)26)9-23(12)10-2-3-10/h8-10H,2-7,19-20H2,1H3,(H,25,26)
InChiKey: AMDTZLGOAZIHSM-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

5,6-diamino-1-cyclopropyl-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid
5,6-diamino-1-cyclopropyl-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
5,6-bis(azanyl)-1-cyclopropyl-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid
5,6-diamino-1-cyclopropyl-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid
5,6-diamino-1-cyclopropyl-4-keto-7-(4-methylpiperazin-1-yl)quinoline-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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.0172	0.3017
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0233	0.057	0.1609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0172	0.3017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0086	0.0127	0.2219
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0233	0.057	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0233	0.057	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0233	0.057	0.057
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0045	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0146	0.0308	0.5399
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0131	0.0262	0.4601
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0233	0.057	0.1609
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0233	0.057	1
Onchocerca volvulus		0.0045	0	0.5
Entamoeba histolytica	hypothetical protein	0.0131	0.0262	0.4601
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0131	0.0262	0.4601
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0131	0.0262	0.4601
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0045	0	0.5
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0233	0.057	1
Mycobacterium leprae	conserved hypothetical protein	0.0045	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Onchocerca volvulus		0.0045	0	0.5
Toxoplasma gondii	FATC domain-containing protein	0.0131	0.0262	0.4601
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0131	0.0262	0.0262
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0045	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.0262	0.4601
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0045	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0233	0.057	0.1673
Schistosoma mansoni	hypothetical protein	0.0101	0.0172	0.3017
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0233	0.057	1
Trichomonas vaginalis	conserved hypothetical protein	0.0146	0.0308	0.5399
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0233	0.057	0.057
Loa Loa (eye worm)	phosphatidylinositol 3	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.0262	0.4601
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.0127	0.2219
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0233	0.057	0.1673
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0146	0.0308	0.5399
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0131	0.0262	0.4601
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0233	0.057	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0233	0.057	0.1673
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0233	0.057	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0131	0.0262	0.4601
Leishmania major	hypothetical protein, conserved	0.1213	0.3545	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0233	0.057	0.1609
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0101	0.0172	0.0172
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0146	0.0308	0.5399
Loa Loa (eye worm)	hypothetical protein	0.0131	0.0262	0.4601
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.3341	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.0262	0.4601
Trypanosoma cruzi	hypothetical protein, conserved	0.1168	0.3409	1
Giardia lamblia	GTOR	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.0262	0.4601
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.0262	0.4601
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0045	0	0.5
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0233	0.057	0.1673
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0086	0.0127	0.0371
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.0262	0.4601
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0045	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0131	0.0262	0.077
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0045	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0086	0.0127	0.2219
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0233	0.057	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0233	0.057	0.057
Loa Loa (eye worm)	phosphatidylinositol 3	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0131	0.0262	0.077
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0146	0.0308	0.5399
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0101	0.0172	0.0172
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.0262	0.4601
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0131	0.0262	0.4601
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0233	0.057	1
Echinococcus granulosus	serine protein kinase ATM	0.0131	0.0262	0.0262
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0233	0.057	0.1609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Entamoeba histolytica	protein kinase rad3, putative	0.0131	0.0262	0.4601
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.0262	0.4601
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0233	0.057	0.057
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0045	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0233	0.057	0.1673
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Plasmodium vivax	hypothetical protein	0.0045	0	0.5
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0131	0.0262	0.0262
Brugia malayi	FAT domain containing protein	0.0101	0.0172	0.3017
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0233	0.057	0.1609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0233	0.057	1
Plasmodium vivax	hypothetical protein, conserved	0.0045	0	0.5
Echinococcus multilocularis	serine protein kinase ATM	0.0131	0.0262	0.0262

Activities

Activity type	Activity value	Assay description	Source	Reference
ln MIC (functional)	= 0	Antibacterial activity against Enterobacter cloacae OMNFI 174 (Gram negative) strain.	ChEMBL.	9171879
ln MIC (functional)	= 0	Antibacterial activity against Acinetobacter calcoloaceticus OSMPV 113 (Gram negative) strain.	ChEMBL.	9171879
ln MIC (functional)	= 0	Antibacterial activity against Providencia stuartii CNUR 5(Gram negative) strain.	ChEMBL.	9171879
ln MIC (functional)	= 0	Antibacterial activity against Shigella enteritidis (Gram negative) strain.	ChEMBL.	9171879
ln MIC (functional)	= 0	Antibacterial activity against Pseudomonas aeruginosa ATCC 9027(Gram negative) strain.	ChEMBL.	9171879
ln MIC (functional)	= 0	Antibacterial activity against Staphylococcus aureus MPR 5 (Gram positive) strain.	ChEMBL.	9171879
ln MIC (functional)	= 0	Antibacterial activity against Staphylococcus aureus ATCC 6538 (Gram positive) strain.	ChEMBL.	9171879
ln MIC (functional)	= 0	Antibacterial activity against Staphylococcus epidermidis HCF Berset C (Gram positive) strain.	ChEMBL.	9171879
ln MIC (functional)	= 0	Antibacterial activity against Staphylococcus epidermidis CPHL A2 (Gram positive) strain, activity is expressed as log2MIC.	ChEMBL.	9171879
ln MIC (functional)	= 0	Antibacterial activity against Streptococcus faecalis LEP Br (Gram positive) strain.	ChEMBL.	9171879
ln MIC (functional)	= 2	Antibacterial activity against Klebsiella pneumoniae ATCC 10031 (Gram negative) strain.	ChEMBL.	9171879
ln MIC (functional)	= 3	Antibacterial activity against Escherichia coli ATCC 8739(Gram negative) strain.	ChEMBL.	9171879
ln MIC (functional)	= 3	Antibacterial activity against Escherichia coli ISF 432(Gram negative) strain.	ChEMBL.	9171879
Log2 MIC (functional)	= 3	Antibacterial activity against Escherichia coli ATCC 8739(Gram negative) strain.	ChEMBL.	9171879
Log2 MIC (functional)	= 3	Antibacterial activity against Escherichia coli ISF 432(Gram negative) strain.	ChEMBL.	9171879
MIC (functional)	= 16 ug ml-1	Tested in vitro for inhibitory activity against gram negative bacteria E. coli ATCC 8739 cell lines	ChEMBL.	7699714
MIC (functional)	= 16 ug ml-1	Tested in vitro for inhibitory activity against gram negative bacteria E. coli ISF 432 strain.	ChEMBL.	7699714
MIC (functional)	= 16 ug ml-1	Tested in vitro for inhibitory activity against gram negative bacteria E. coli ATCC 8739 cell lines	ChEMBL.	7699714
MIC (functional)	= 16 ug ml-1	Tested in vitro for inhibitory activity against gram negative bacteria E. coli ISF 432 strain.	ChEMBL.	7699714
MIC (functional)	= 32 ug ml-1	Tested in vitro for inhibitory activity against gram negative bacteria Klebsiella pneumoniae ATCC 10031 strain	ChEMBL.	7699714
MIC (functional)	= 128 ug ml-1	Tested in vitro for inhibitory activity against gram negative bacteria Enterobacter cloacae OMNFI 174 strain.	ChEMBL.	7699714
MIC (functional)	= 128 ug ml-1	Tested in vitro for inhibitory activity against gram negative bacteria Acinetobacter calcoaceticus OSMPV 113 strain.	ChEMBL.	7699714
MIC (functional)	= 128 ug ml-1	Tested in vitro for inhibitory activity against gram negative bacteria Providencia stuartii CNUR 5 strain	ChEMBL.	7699714
MIC (functional)	= 128 ug ml-1	Tested in vitro for inhibitory activity against gram negative bacteria Shigella enteritidis	ChEMBL.	7699714
MIC (functional)	= 128 ug ml-1	Tested in vitro for inhibitory activity against gram negative bacteria Pseudomonas aeruginosa ATCC 9027 strain	ChEMBL.	7699714
MIC (functional)	= 128 ug ml-1	Tested in vitro for inhibitory activity against gram positive bacteria Staphylococcus aureus MPR 5 strain	ChEMBL.	7699714
MIC (functional)	= 128 ug ml-1	Tested in vitro for inhibitory activity against gram positive bacteria Staphylococcus aureus ATCC 6538 strain	ChEMBL.	7699714
MIC (functional)	= 128 ug ml-1	Tested in vitro for inhibitory activity against gram positive bacteria Staphylococcus epidermidis HCF berset C strain	ChEMBL.	7699714
MIC (functional)	= 128 ug ml-1	Tested in vitro for inhibitory activity against gram positive bacteria Staphylococcus epidermidis CPHL A2 strain	ChEMBL.	7699714
MIC (functional)	= 128 ug ml-1	Tested in vitro for inhibitory activity against gram positive bacteria Streptococcus faecalis LEP Br strain	ChEMBL.	7699714

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: CHEMBL416630
PubChem: 10247747

Bibliographic References

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 65875