TDR Targets

Basic information

Technical information

TDR Targets ID: 1012496
Name: N-[(2S,3R)-3-hydroxy-4-[[(2S)-2-hydroxypropyl ]-(3-methoxyphenyl)sulfonylamino]-1-phenylbut an-2-yl]-6-methylpyridine-2-carboxamide
MW: 527.632 | Formula: C27H33N3O6S
H donors: 3 H acceptors: 6 LogP: 2.83 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: COc1cccc(c1)S(=O)(=O)N(C[C@H]([C@@H](NC(=O)c1cccc(n1)C)Cc1ccccc1)O)C[C@@H](O)C
InChi: 1S/C27H33N3O6S/c1-19-9-7-14-24(28-19)27(33)29-25(15-21-10-5-4-6-11-21)26(32)18-30(17-20(2)31)37(34,35)23-13-8-12-22(16-23)36-3/h4-14,16,20,25-26,31-32H,15,17-18H2,1-3H3,(H,29,33)/t20-,25-,26+/m0/s1
InChiKey: YTKRGFMRMASRCH-YMSRPXOMSA-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-[(1S,2R)-2-hydroxy-3-[[(2S)-2-hydroxypropyl]-(3-methoxyphenyl)sulfonyl-amino]-1-(phenylmethyl)propyl]-6-methyl-pyridine-2-carboxamide
N-[(1S,2R)-2-hydroxy-3-[[(2S)-2-hydroxypropyl]-(3-methoxyphenyl)sulfonylamino]-1-(phenylmethyl)propyl]-6-methyl-2-pyridinecarboxamide
N-[(1S,2R)-1-(benzyl)-2-hydroxy-3-[[(2S)-2-hydroxypropyl]-(3-methoxyphenyl)sulfonyl-amino]propyl]-6-methyl-picolinamide
N-[(2S,3R)-3-hydroxy-4-[[(2S)-2-hydroxypropyl]-(3-methoxyphenyl)sulfonyl-amino]-1-phenyl-butan-2-yl]-6-methyl-pyridine-2-carboxamide

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
Schistosoma mansoni	rotamase	0.0036	0.1558	0.1318
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.6852	0.7275
Brugia malayi	hypothetical protein	0.0151	0.9118	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0803	0.0595
Trypanosoma brucei	trypanothione reductase	0.0046	0.2239	0.222
Toxoplasma gondii	peptidylprolyl isomerase	0.0035	0.1503	0.1388
Wolbachia endosymbiont of Brugia malayi	NAD-dependent DNA ligase, Lig	0.0151	0.9118	1
Leishmania major	trypanothione reductase	0.0046	0.2239	1
Trichomonas vaginalis	rotamase, putative	0.0036	0.1558	0.1449
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0079	0.4406	0.467
Loa Loa (eye worm)	hypothetical protein	0.0151	0.9118	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.9118	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.6087	0.8837
Trichomonas vaginalis	conserved hypothetical protein	0.0151	0.9118	1
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.2239	0.2104
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0407	0.0147
Trichomonas vaginalis	replication factor C large subunit, putative	0.0151	0.9118	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0079	0.4406	0.467
Schistosoma mansoni	topbp1	0.0151	0.9118	0.9093
Trichomonas vaginalis	conserved hypothetical protein	0.0151	0.9118	1
Brugia malayi	Pax transcription activation domain interacting protein	0.0151	0.9118	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.1017	0.0837
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0079	0.4406	0.467
Trypanosoma cruzi	hypothetical protein, conserved	0.0151	0.9118	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0803	0.088
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0151	0.9118	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0803	0.0455
Trichomonas vaginalis	chromosome transmission fidelity factor, putative	0.0151	0.9118	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0079	0.4406	0.467
Plasmodium falciparum	replication factor C subunit 1, putative	0.0151	0.9118	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0803	0.0455
Brugia malayi	DKFZp564C0469 protein	0.0151	0.9118	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0079	0.4406	0.467
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0079	0.4406	0.467
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0803	0.0801
Brugia malayi	glutathione reductase	0.0046	0.2239	0.2456
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.2239	0.222
Loa Loa (eye worm)	hypothetical protein	0.0151	0.9118	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0803	0.0595
Trichomonas vaginalis	conserved hypothetical protein	0.0151	0.9118	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0803	0.0595
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase/rotamase, putative	0.0035	0.1503	0.1388
Trichomonas vaginalis	conserved hypothetical protein	0.0151	0.9118	1
Treponema pallidum	DNA ligase (lig)	0.0151	0.9118	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0343	0.0101
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.2141	0.1991
Mycobacterium ulcerans	NAD-dependent DNA ligase LigA	0.0151	0.9118	1
Echinococcus granulosus	replication factor c subunit 1	0.0151	0.9118	0.9093
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.2141	0.1918
Echinococcus multilocularis	replication factor c subunit 1	0.0151	0.9118	0.9093
Trichomonas vaginalis	rotamase, putative	0.0035	0.1503	0.1388
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.6852	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.9118	1
Schistosoma mansoni	peptidase Clp (S14 family)	0.0079	0.4406	0.4247
Plasmodium vivax	replication factor C subunit 1, putative	0.0151	0.9118	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.2141	0.1918
Trypanosoma cruzi	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0151	0.9118	1
Toxoplasma gondii	hypothetical protein	0.0027	0.1017	0.0837
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0407	0.0147
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0052	0.2624	0.219
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0052	0.2624	0.2415
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0803	0.2682
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.2141	0.1918
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0803	0.0801
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0079	0.4406	0.4333
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0027	0.1017	0.0257
Echinococcus multilocularis	geminin	0.0165	1	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.6087	0.8837
Schistosoma mansoni	DNA ligase IV	0.0151	0.9118	0.9093
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.2141	0.2348
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.0151	0.9118	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0407	0.0147
Brugia malayi	Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1	0.0036	0.1558	0.1709
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0407	0.0198
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0803	0.088
Brugia malayi	Probable ClpP-like protease	0.0079	0.4406	0.4832
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.0803	0.088
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0035	0.1503	0.1388
Mycobacterium tuberculosis	Probable reductase	0.0105	0.6087	0.8837
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.2141	0.1918
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0151	0.9118	1
Echinococcus multilocularis	nibrin	0.0151	0.9118	0.9093
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.2239	0.222
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.6087	0.8837
Trichomonas vaginalis	conserved hypothetical protein	0.0151	0.9118	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0105	0.6087	0.6355
Loa Loa (eye worm)	Pin1-type peptidyl-prolyl cis-trans isomerase	0.0036	0.1558	0.1322
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.1558	0.1449
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.1017	0.0837
Plasmodium falciparum	thioredoxin reductase	0.0046	0.2239	0.222
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0052	0.2624	0.3571
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0343	0.0101
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0803	0.0595
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0803	0.0595
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0803	0.2682
Toxoplasma gondii	thioredoxin reductase	0.0046	0.2239	0.222
Echinococcus granulosus	nibrin	0.0151	0.9118	0.9093
Plasmodium vivax	glutathione reductase, putative	0.0046	0.2239	0.222
Schistosoma mansoni	hypothetical protein	0.0165	1	1
Entamoeba histolytica	hypothetical protein	0.0151	0.9118	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.6852	1
Chlamydia trachomatis	DNA ligase	0.0151	0.9118	1
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0803	0.0595
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0803	0.0595
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.6852	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0079	0.4406	0.467
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0027	0.1017	0.0837
Brugia malayi	ATP dependent DNA ligase C terminal region family protein	0.0151	0.9118	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.2239	0.2019
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0343	0.0101
Brugia malayi	hypothetical protein	0.0151	0.9118	1
Plasmodium falciparum	glutathione reductase	0.0046	0.2239	0.222
Toxoplasma gondii	ATPase, AAA family protein	0.0151	0.9118	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0079	0.4406	0.467
Loa Loa (eye worm)	hypothetical protein	0.0151	0.9118	1
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0079	0.4406	0.4247
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0079	0.4406	0.467
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.2141	0.1918
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.6087	0.8837
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase	0.0035	0.1503	0.1388
Trichomonas vaginalis	RNA polymerase II ctd phosphatase, putative	0.0151	0.9118	1
Entamoeba histolytica	Activator 1 140 kDa subunit, putative	0.0151	0.9118	1
Echinococcus granulosus	peptidase Clp S14 family	0.0052	0.2624	0.2415
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0803	0.0595
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0079	0.4406	0.467
Brugia malayi	topoisomerase	0.0151	0.9118	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.2141	0.1918
Loa Loa (eye worm)	glutathione reductase	0.0046	0.2239	0.2104
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0803	0.0455
Onchocerca volvulus		0.0151	0.9118	1
Giardia lamblia	Replication factor C, subunit 1	0.0151	0.9118	1
Schistosoma mansoni	topbp1	0.0151	0.9118	0.9093
Echinococcus granulosus	expressed protein	0.0036	0.1558	0.1318
Trypanosoma cruzi	hypothetical protein, conserved	0.0151	0.9118	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.6087	0.8837
Brugia malayi	Thioredoxin reductase	0.0046	0.2239	0.2456
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.2141	0.1918
Schistosoma mansoni	hypothetical protein	0.0165	1	1
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0276	0.0303
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.2239	0.2019
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, putative	0.0035	0.1503	0.0842
Schistosoma mansoni	chromosome transmission fidelity factor	0.0151	0.9118	0.9093
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.2239	0.2985
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0079	0.4406	0.4247
Loa Loa (eye worm)	hypothetical protein	0.0151	0.9118	1
Trypanosoma cruzi	FHA domain containing protein, putative	0.0151	0.9118	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0052	0.2624	0.3571
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.0803	0.2682
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0407	0.0147
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0343	0.0101
Trypanosoma brucei	BRCA1 C Terminus (BRCT) domain containing protein, putative	0.0151	0.9118	1
Echinococcus multilocularis	expressed protein	0.0036	0.1558	0.1318
Leishmania major	peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative	0.0035	0.1503	0.6251
Loa Loa (eye worm)	hypothetical protein	0.0079	0.4406	0.459
Mycobacterium leprae	PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+])	0.0151	0.9118	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

ChEMBL: CHEMBL515216

Bibliographic References

No literature references available for this target.

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

Detailed information for compound 1012496