TDR Targets

Basic information

Technical information

TDR Targets ID: 730555
Name: N-[3-(cyclopentylcarbamoyl)-5,6-dihydro-4H-cy clopenta[d]thiophen-2-yl]-2-pyridin-2-ylquino line-4-carboxamide
MW: 482.597 | Formula: C28H26N4O2S
H donors: 2 H acceptors: 4 LogP: 5.45 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1c(sc2c1CCC2)NC(=O)c1cc(nc2c1cccc2)c1ccccn1)NC1CCCC1
InChi: 1S/C28H26N4O2S/c33-26(20-16-23(22-13-5-6-15-29-22)31-21-12-4-3-10-18(20)21)32-28-25(19-11-7-14-24(19)35-28)27(34)30-17-8-1-2-9-17/h3-6,10,12-13,15-17H,1-2,7-9,11,14H2,(H,30,34)(H,32,33)
InChiKey: KQVXGLWSYLSYAX-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

N-[3-(cyclopentylcarbamoyl)-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl]-2-(2-pyridyl)quinoline-4-carboxamide
N-[3-[(cyclopentylamino)-oxomethyl]-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl]-2-(2-pyridyl)-4-quinolinecarboxamide
N-[3-(cyclopentylcarbamoyl)-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl]-2-(2-pyridyl)cinchoninamide
N-[3-(cyclopentylcarbamoyl)-5,6-dihydro-4H-cyclopenta[d]thiophen-2-yl]-2-pyridin-2-yl-quinoline-4-carboxamide
CBKinase1_009335
CBKinase1_021735
IVK/4002647

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)	hypothetical protein	0.0107	0.1323	0.1505
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0154	0.0175
Loa Loa (eye worm)	Smad1	0.0041	0.0332	0.0377
Trichomonas vaginalis	D-aminoacylase, putative	0.0107	0.1323	0.4124
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0507	0.3833
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0595	0.1657
Trypanosoma cruzi	hypothetical protein, conserved	0.0107	0.1323	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0595	0.0595
Mycobacterium leprae	Probable lipase LipE	0.0107	0.1323	0.5
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0154	0.0427
Loa Loa (eye worm)	MH2 domain-containing protein	0.0041	0.0332	0.0377
Brugia malayi	Pre-SET motif family protein	0.0204	0.2784	0.3166
Schistosoma mansoni	smad1 5 8 and	0.0041	0.0332	0.0923
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0154	0.0427
Trichomonas vaginalis	D-aminoacylase, putative	0.0107	0.1323	0.4124
Loa Loa (eye worm)	beta-lactamase	0.0107	0.1323	0.1505
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0204	0.2784	0.3166
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1323	0.1505
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0024	0.0069	0.0193
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0154	0.0427
Loa Loa (eye worm)	MH2 domain-containing protein	0.0604	0.8794	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0154	0.0427
Schistosoma mansoni	smad1 5 8 and	0.0041	0.0332	0.0923
Trypanosoma cruzi	hypothetical protein, conserved	0.0107	0.1323	1
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0154	0.0427
Trypanosoma brucei	PAB1-binding protein , putative	0.0053	0.0507	0.3833
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0258	0.3593	0.4086
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0595	0.1657
Mycobacterium tuberculosis	Conserved protein	0.0107	0.1323	0.1323
Trypanosoma brucei	hypothetical protein, conserved	0.0107	0.1323	1
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.3593	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0595	0.1657
Schistosoma mansoni	smad	0.0041	0.0332	0.0923
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.3593	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0107	0.1323	0.4124
Mycobacterium ulcerans	esterase/lipase LipP	0.0107	0.1323	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0107	0.1323	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1323	0.1505
Brugia malayi	MH2 domain containing protein	0.0041	0.0332	0.0377
Brugia malayi	hypothetical protein	0.0034	0.0226	0.0257
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0041	0.0332	0.0923
Trichomonas vaginalis	penicillin-binding protein, putative	0.0107	0.1323	0.4124
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0137	0.0382
Brugia malayi	MH1 domain containing protein	0.0023	0.0055	0.0063
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0	0.5
Brugia malayi	MH1 domain containing protein	0.0023	0.0055	0.0063
Mycobacterium tuberculosis	Probable lipase LipD	0.0107	0.1323	0.1323
Toxoplasma gondii	LsmAD domain-containing protein	0.0053	0.0507	0.3023
Mycobacterium leprae	conserved hypothetical protein	0.0107	0.1323	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0053	0.0507	0.3023
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.0507	0.5
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1323	0.1505
Loa Loa (eye worm)	TAR-binding protein	0.0258	0.3593	0.4086
Mycobacterium ulcerans	beta-lactamase	0.0107	0.1323	1
Loa Loa (eye worm)	nuclear factor I	0.0023	0.0055	0.0063
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.3593	1
Trichomonas vaginalis	set domain proteins, putative	0.0232	0.3209	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0107	0.1323	0.3682
Echinococcus granulosus	smad	0.0041	0.0332	0.0923
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0107	0.1323	0.3682
Giardia lamblia	DINP protein human, muc B family	0.0019	0	0.5
Brugia malayi	MH2 domain containing protein	0.0604	0.8794	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0595	0.4499
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0107	0.1323	0.1323
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0041	0.0332	0.0923
Echinococcus multilocularis	Smad4	0.0041	0.0332	0.0923
Brugia malayi	TAR-binding protein	0.0258	0.3593	0.4086
Toxoplasma gondii	ABC1 family protein	0.0107	0.1323	1
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.3593	1
Onchocerca volvulus		0.0107	0.1323	0.3828
Brugia malayi	RNA recognition motif domain containing protein	0.0258	0.3593	0.4086
Brugia malayi	Smad1	0.0041	0.0332	0.0377
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0041	0.0332	0.0923
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0107	0.1323	0.1505
Mycobacterium tuberculosis	Probable hydrolase	0.0107	0.1323	0.1323
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0595	0.4499
Brugia malayi	hypothetical protein	0.0053	0.0507	0.0577
Brugia malayi	MH1 domain containing protein	0.0041	0.0332	0.0377
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0107	0.1323	0.1505
Mycobacterium tuberculosis	Conserved protein	0.0107	0.1323	0.1323
Onchocerca volvulus		0.0107	0.1323	0.3828
Echinococcus granulosus	tar DNA binding protein	0.0258	0.3593	1
Schistosoma mansoni	smad1 5 8 and	0.0041	0.0332	0.0923
Trichomonas vaginalis	esterase, putative	0.0107	0.1323	0.4124
Schistosoma mansoni	hypothetical protein	0.0024	0.0069	0.0193
Brugia malayi	beta-lactamase family protein	0.0107	0.1323	0.1505
Leishmania major	hypothetical protein, conserved	0.0053	0.0507	0.3833
Brugia malayi	Pre-SET motif family protein	0.0029	0.0154	0.0175
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0041	0.0332	0.0923
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0595	0.4499
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0024	0.0069	0.0193
Echinococcus granulosus	mothers against decapentaplegic 5	0.0041	0.0332	0.0923
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0107	0.1323	0.1323
Mycobacterium tuberculosis	Probable lipase LipE	0.0107	0.1323	0.1323
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0507	0.3833
Echinococcus granulosus	Smad4	0.0041	0.0332	0.0923
Echinococcus multilocularis	smad	0.0041	0.0332	0.0923
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1323	0.1505
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0055	0.0063
Plasmodium vivax	hypothetical protein, conserved	0.0107	0.1323	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0595	0.4499
Brugia malayi	MH2 domain containing protein	0.0041	0.0332	0.0377
Leishmania major	hypothetical protein, conserved	0.0107	0.1323	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0604	0.8794	1
Brugia malayi	beta-lactamase	0.0107	0.1323	0.1505
Schistosoma mansoni	tar DNA-binding protein	0.0258	0.3593	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0107	0.1323	0.3682
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0107	0.1323	0.1323
Brugia malayi	MH1 domain containing protein	0.0041	0.0332	0.0377
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0507	0.0577
Onchocerca volvulus		0.0232	0.3209	1
Schistosoma mansoni	Smad4	0.0041	0.0332	0.0923
Brugia malayi	RNA binding protein	0.0258	0.3593	0.4086
Mycobacterium ulcerans	hypothetical protein	0.0107	0.1323	1
Onchocerca volvulus		0.0107	0.1323	0.3828
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0154	0.0427
Mycobacterium tuberculosis	Probable esterase LipL	0.0107	0.1323	0.1323
Mycobacterium tuberculosis	Conserved protein	0.0107	0.1323	0.1323
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0107	0.1323	0.3682
Mycobacterium ulcerans	lipase LipD	0.0107	0.1323	1
Loa Loa (eye worm)	RNA binding protein	0.0258	0.3593	0.4086
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0595	0.1657
Brugia malayi	beta-lactamase family protein	0.0107	0.1323	0.1505
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1323	0.1505
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0595	0.3777
Echinococcus multilocularis	tar DNA binding protein	0.0258	0.3593	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.0507	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0154	0.0427
Trichomonas vaginalis	D-aminoacylase, putative	0.0107	0.1323	0.4124
Loa Loa (eye worm)	MH1 domain-containing protein	0.0041	0.0332	0.0377

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.

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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 730555