TDR Targets

Basic information

Technical information

TDR Targets ID: 1482525
Name: 4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[ 3-(2-oxopyrrolidin-1-yl)propyl]benzamide
MW: 433.496 | Formula: C21H24FN3O4S
H donors: 2 H acceptors: 4 LogP: 1.68 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCCN1CCCC1=O
InChi: 1S/C21H24FN3O4S/c22-18-8-10-19(11-9-18)30(28,29)24-15-16-4-6-17(7-5-16)21(27)23-12-2-14-25-13-1-3-20(25)26/h4-11,24H,1-3,12-15H2,(H,23,27)
InChiKey: FKMNCNPVAQBWBU-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

4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]benzamide
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-[3-(2-ketopyrrolidin-1-yl)propyl]benzamide
MLS000046711
SMR000032722
4-({[(4-fluorophenyl)sulfonyl]amino}methyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	K(lysine) acetyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Echinococcus granulosus	histone acetyltransferase KAT2B	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	Get druggable targets OG5_127781	All targets in OG5_127781
Giardia lamblia	Histone acetyltransferase GCN5	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium berghei	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium falciparum	histone acetyltransferase GCN5	Get druggable targets OG5_127781	All targets in OG5_127781
Babesia bovis	histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Theileria parva	histone acetyltransferase Gcn5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Neospora caninum	Bromodomain containing protein, related	Get druggable targets OG5_127781	All targets in OG5_127781
Candida albicans	bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Neospora caninum	hypothetical protein	Get druggable targets OG5_127781	All targets in OG5_127781
Candida albicans	bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium yoelii	histone acetyltransferase GCN5-related	Get druggable targets OG5_127781	All targets in OG5_127781
Cryptosporidium hominis	histone acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma japonicum	ko:K06062 p300/CBP-associated factor, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Entamoeba histolytica	acetyltransferase, GNAT family	Get druggable targets OG5_127781	All targets in OG5_127781
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	Get druggable targets OG5_127781	All targets in OG5_127781
Cryptosporidium parvum	GCN5 like acetylase + bromodomain	Get druggable targets OG5_127781	All targets in OG5_127781
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	Get druggable targets OG5_127781	All targets in OG5_127781
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	Get druggable targets OG5_127781	All targets in OG5_127781
Echinococcus granulosus	histone acetyltransferase KAT2B	Get druggable targets OG5_127781	All targets in OG5_127781
Trichomonas vaginalis	bromodomain-containing protein, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Brugia malayi	acetyltransferase, GNAT family protein	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium vivax	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	acetyltransferase	Get druggable targets OG5_127781	All targets in OG5_127781
Plasmodium knowlesi	histone acetyltransferase GCN5, putative	Get druggable targets OG5_127781	All targets in OG5_127781
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470

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
Echinococcus multilocularis	potassium channel subfamily K 8	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0061	0.0164	0.0395
Schistosoma mansoni	calcium-activated potassium channel	0.1536	1	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0175	0.0926	0.0926
Schistosoma mansoni	twik family of potassium channels-related	0.0061	0.0164	0.0164
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0061	0.0164	0.0164
Trypanosoma cruzi	ion transport protein, putative	0.0061	0.0164	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Echinococcus granulosus	potassium channel subfamily K 8	0.0061	0.0164	0.0164
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0061	0.0164	0.1146
Schistosoma mansoni	calcium-activated potassium channel	0.1185	0.7657	0.7657
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0061	0.0164	0.1146
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0061	0.0164	0.0395
Plasmodium falciparum	potassium channel	0.0061	0.0164	1
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0061	0.0164	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0061	0.0164	0.0164
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0061	0.0164	0.1146
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0061	0.0164	0.1146
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0061	0.0164	0.1146
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0061	0.0164	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Leishmania major	ion transport protein-like protein	0.0061	0.0164	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Onchocerca volvulus		0.0061	0.0164	0.0987
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0051	0.0103	0.625
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Brugia malayi	Pre-SET motif family protein	0.0251	0.1435	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0061	0.0164	0.1146
Loa Loa (eye worm)	hypothetical protein	0.056	0.3495	0.3495
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0061	0.0164	0.1146
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0061	0.0164	0.1146
Echinococcus granulosus	calcium activated potassium channel variant	0.0061	0.0164	0.0164
Onchocerca volvulus		0.0061	0.0164	0.0987
Echinococcus granulosus	potassium channel subfamily K 8	0.0061	0.0164	0.0164
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0175	0.0926	0.0926
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0061	0.0164	0.1146
Loa Loa (eye worm)	TWK-7 protein	0.0061	0.0164	0.0164
Onchocerca volvulus		0.0061	0.0164	0.0987
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.1435	0.1435
Giardia lamblia	Hypothetical protein	0.0061	0.0164	1
Mycobacterium ulcerans	ion transport protein	0.0061	0.0164	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0061	0.0164	0.0395
Echinococcus granulosus	potassium channel subfamily K	0.0061	0.0164	0.0164
Loa Loa (eye worm)	uncoordinated protein 58	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Leishmania major	calcium/potassium channel (CAKC), putative	0.0061	0.0164	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.1536	1	1
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0061	0.0164	0.1146
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Schistosoma mansoni	twik family of potassium channels-related	0.0061	0.0164	0.0164
Echinococcus multilocularis	calcium activated potassium channel variant	0.0061	0.0164	0.0164
Echinococcus granulosus	twik family of potassium channels	0.0061	0.0164	0.0164
Plasmodium vivax	potassium channel, putative	0.0061	0.0164	1
Schistosoma mansoni	hypothetical protein	0.0061	0.0164	0.0164
Leishmania major	potassium channel subunit-like protein	0.0061	0.0164	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0061	0.0164	0.0164
Mycobacterium ulcerans	transmembrane cation transporter	0.0061	0.0164	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0061	0.0164	0.1146
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0061	0.0164	0.5
Trypanosoma cruzi	ion transport protein, putative	0.0061	0.0164	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0061	0.0164	0.0164
Onchocerca volvulus		0.0061	0.0164	0.0987
Onchocerca volvulus		0.0061	0.0164	0.0987
Schistosoma mansoni	twik family of potassium channels-related	0.0061	0.0164	0.0164
Loa Loa (eye worm)	acetyltransferase	0.0175	0.0926	0.0926
Leishmania major	hypothetical protein, conserved	0.0061	0.0164	0.5
Echinococcus multilocularis	twik family of potassium channels	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Loa Loa (eye worm)	TWK-28 protein	0.0061	0.0164	0.0164
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0051	0.0103	0.625
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Schistosoma mansoni	twik family of potassium channels-related	0.0061	0.0164	0.0164
Brugia malayi	hypothetical protein	0.0061	0.0164	0.1146
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0061	0.0164	0.0164
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0061	0.0164	0.1146
Brugia malayi	acetyltransferase, GNAT family protein	0.0175	0.0926	0.6456
Schistosoma mansoni	calcium-activated potassium channel	0.0061	0.0164	0.0164
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0051	0.0103	0.625
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0061	0.0164	0.0395
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0061	0.0164	0.1146
Trypanosoma cruzi	hypothetical protein, conserved	0.0061	0.0164	0.5
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Onchocerca volvulus		0.0286	0.1666	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.017	0.0894	0.0894
Onchocerca volvulus		0.0061	0.0164	0.0987
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0061	0.0164	0.1146
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0061	0.0164	0.1146
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0061	0.0164	0.5
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0051	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Echinococcus multilocularis	twik family of potassium channels	0.0061	0.0164	0.0164
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0061	0.0164	0.5
Plasmodium falciparum	potassium channel	0.0061	0.0164	1
Toxoplasma gondii	ion channel protein	0.0061	0.0164	1
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Trypanosoma cruzi	hypothetical protein, conserved	0.0061	0.0164	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0061	0.0164	0.1146
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Schistosoma mansoni	twik family of potassium channels-related	0.0061	0.0164	0.0164
Echinococcus granulosus	twik family of potassium channels	0.0061	0.0164	0.0164
Onchocerca volvulus		0.0061	0.0164	0.0987
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0061	0.0164	1
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.1666	1
Plasmodium vivax	potassium channel, putative	0.0061	0.0164	1
Toxoplasma gondii	ion channel protein	0.0061	0.0164	1
Onchocerca volvulus		0.0061	0.0164	0.0987
Schistosoma mansoni	twik family of potassium channels-related	0.0061	0.0164	0.0164
Echinococcus multilocularis	small conductance calcium activated potassium	0.1536	1	1
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0061	0.0164	0.0164
Schistosoma mansoni	hypothetical protein	0.1536	1	1
Loa Loa (eye worm)	hypothetical protein	0.0624	0.3922	0.3922
Echinococcus multilocularis	potassium channel subfamily K	0.0061	0.0164	0.0164
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0061	0.0164	0.1146
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0291	0.1698	0.1698
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Schistosoma mansoni	twik family of potassium channels-related	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Leishmania major	hypothetical protein, conserved	0.0061	0.0164	0.5
Brugia malayi	hypothetical protein	0.0061	0.0164	0.1146
Echinococcus multilocularis	potassium channel subfamily K 8	0.0061	0.0164	0.0164
Schistosoma mansoni	calcium-activated potassium channel	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0061	0.0164	0.5
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0061	0.0164	0.5
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0061	0.0164	0.5
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0164	0.0164

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)		PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
AC50 (functional)	= 39.81071706 uM	PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Potency (functional)	0.5858 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	0.7079 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398]	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1723188

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 1482525