TDR Targets

Basic information

Technical information

TDR Targets ID: 897036
Name: N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfonyl -3,4-dihydro-1H-isoquinoline-3-carboxamide
MW: 452.498 | Formula: C24H21FN2O4S
H donors: 1 H acceptors: 4 LogP: 3.32 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1ccc(cc1)C(=O)C
InChi: 1S/C24H21FN2O4S/c1-16(28)17-6-10-21(11-7-17)26-24(29)23-14-18-4-2-3-5-19(18)15-27(23)32(30,31)22-12-8-20(25)9-13-22/h2-13,23H,14-15H2,1H3,(H,26,29)
InChiKey: XKQJGPVDFDRSJF-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-(4-ethanoylphenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
BAS 03772935

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
Trypanosoma cruzi	target of rapamycin kinase 3	0.0038	0.1015	0.6307
Schistosoma mansoni	hypothetical protein	0.0034	0.0862	0.0743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0914	0.6498
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0018	0.0194	0.0189
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.4658	0.4589
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0138	0.5079	0.5015
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0016	0.0129	0.0123
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.5528	0.547
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0259	1	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0128	0.468	0.7256
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0047	0.1407	0.9096
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0862	0.0743
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0259	1	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0018	0.0194	0.0466
Plasmodium falciparum	thioredoxin reductase	0.0051	0.1533	0.1366
Loa Loa (eye worm)	hypothetical protein	0.0073	0.2462	0.2363
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0018	0.0194	0.0466
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0038	0.1015	0.6307
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0259	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.1407	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0107	0.384	0.3836
Echinococcus multilocularis	peptidase Clp (S14 family)	0.017	0.6377	0.633
Loa Loa (eye worm)	thioredoxin reductase	0.0051	0.1533	0.1423
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0862	0.0743
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0035	0.0914	0.0734
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0259	1	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.002	0.0283	0.1095
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.1407	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0129	0.0916
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0047	0.1407	0.1294
Echinococcus granulosus	GPCR family 2	0.0034	0.0862	0.0743
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0107	0.384	0.3836
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0129	0.0916
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0259	1	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0128	0.468	0.7256
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0521	0.3702
Mycobacterium tuberculosis	Probable reductase	0.0115	0.4159	0.6412
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0259	1	1
Echinococcus granulosus	peptidase Clp S14 family	0.017	0.6377	0.633
Loa Loa (eye worm)	phosphatidylinositol 3	0.0047	0.1407	0.1294
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0047	0.1407	0.9096
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0047	0.1407	0.1402
Brugia malayi	glutathione reductase	0.0051	0.1533	0.1529
Plasmodium vivax	thioredoxin reductase, putative	0.0051	0.1533	0.1366
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0522	0.3713
Trichomonas vaginalis	glutathione reductase, putative	0.0018	0.0194	0.1382
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0521	0.3702
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0633	0.4499
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0022	0.0393	0.1883
Brugia malayi	MH2 domain containing protein	0.0128	0.4658	0.4655
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0862	0.0857
Trichomonas vaginalis	mercuric reductase, putative	0.0018	0.0194	0.1382
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0774	0.5501
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0018	0.0194	0.0466
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0018	0.0194	0.0466
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0018	0.0194	0.0466
Giardia lamblia	GTOR	0.0047	0.1407	1
Leishmania major	trypanothione reductase	0.0051	0.1533	1
Toxoplasma gondii	thioredoxin reductase	0.0051	0.1533	0.1366
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.1013	0.7204
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0047	0.1407	0.5
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0128	0.468	0.2283
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0914	0.6498
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0862	0.0857
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0115	0.4159	0.1526
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0018	0.0194	0.0466
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0621	0.4418
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0089	0.3107	0.2971
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0862	0.0743
Schistosoma mansoni	hypothetical protein	0.0034	0.0862	0.0743
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0018	0.0194	0.0466
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0259	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0522	0.3713
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0732	0.5205
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0115	0.4159	0.6412
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.017	0.6377	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0115	0.4159	0.6412
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0194	0.0466
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0129	0.0916
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0128	0.468	0.7256
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0862	0.0743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0633	0.4499
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.017	0.6377	0.4744
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0018	0.0194	0.0466
Brugia malayi	Thioredoxin reductase	0.0051	0.1533	0.1529
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0018	0.0194	0.0066
Toxoplasma gondii	hypothetical protein	0.0089	0.3107	0.2971
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0018	0.0194	0.0466
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0259	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0914	0.6498
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.017	0.6377	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0047	0.1407	0.1294
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0038	0.1015	0.6307
Loa Loa (eye worm)	glutathione reductase	0.0051	0.1533	0.1423
Schistosoma mansoni	peptidase Clp (S14 family)	0.0259	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0149	0.5528	0.547
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0051	0.1533	0.2166
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0259	1	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0018	0.0194	0.0066
Schistosoma mansoni	hypothetical protein	0.0073	0.2462	0.2363
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.1013	0.7204
Schistosoma mansoni	hypothetical protein	0.0034	0.0862	0.0743
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0047	0.1407	0.9096
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0633	0.4499
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.5528	0.547
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0129	0.0916
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0194	0.0466
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0259	1	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0047	0.1407	0.5
Plasmodium vivax	glutathione reductase, putative	0.0051	0.1533	0.1366
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0115	0.4159	0.6412
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0259	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0047	0.1407	1
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0138	0.5079	0.5015
Schistosoma mansoni	hypothetical protein	0.0138	0.5079	0.5015
Echinococcus granulosus	thioredoxin glutathione reductase	0.0051	0.1533	0.1423
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0194	0.0466
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0089	0.3107	0.2971
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0621	0.4418
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.4658	0.4589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0016	0.0129	0.0916
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0521	0.3702
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0194	0.0466
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0259	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0914	0.6498
Brugia malayi	latrophilin 2 splice variant baaae	0.0073	0.2462	0.2457
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0194	0.0466
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0047	0.1407	0.9096
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0107	0.384	0.3759
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.1125	0.8002
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0047	0.1407	0.1294
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0914	0.6498
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0051	0.1533	0.1423
Loa Loa (eye worm)	hypothetical protein	0.0107	0.384	0.3759
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0914	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.1013	0.7204
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0259	1	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0089	0.3107	0.2971
Loa Loa (eye worm)	hypothetical protein	0.0259	1	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0047	0.1407	0.9096
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0018	0.0194	0.0466
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0115	0.4159	0.6412
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0522	0.3713
Mycobacterium tuberculosis	Probable dehydrogenase	0.0115	0.4159	0.6412
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0914	0.6498
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.1013	0.7204
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0862	0.0743
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0194	0.0466
Trypanosoma brucei	trypanothione reductase	0.0051	0.1533	1
Plasmodium falciparum	glutathione reductase	0.0051	0.1533	0.1366
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0862	0.0743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0026	0.0522	0.3713
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0862	0.0743
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0047	0.1407	0.9096
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0018	0.0194	0.0466
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0018	0.0194	0.0066
Schistosoma mansoni	hypothetical protein	0.0034	0.0862	0.0743
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.1013	0.7204
Trypanosoma cruzi	trypanothione reductase, putative	0.0051	0.1533	1

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 897036