TDR Targets

Basic information

Technical information

TDR Targets ID: 1516484
Name: 7-(1-methylpyrrole-2-carbonyl)-N-phenyl-2,7-d iazaspiro[3.5]nonane-2-carboxamide
MW: 352.43 | Formula: C20H24N4O2
H donors: 1 H acceptors: 2 LogP: 1.72 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CC2(C1)CCN(CC2)C(=O)c1cccn1C)Nc1ccccc1
InChi: 1S/C20H24N4O2/c1-22-11-5-8-17(22)18(25)23-12-9-20(10-13-23)14-24(15-20)19(26)21-16-6-3-2-4-7-16/h2-8,11H,9-10,12-15H2,1H3,(H,21,26)
InChiKey: TYPYWSGVSKXIMC-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

7-[(1-methyl-2-pyrrolyl)-oxomethyl]-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
7-(1-methylpyrrol-2-yl)carbonyl-N-phenyl-2,7-diazaspiro[3.5]nonane-2-carboxamide
NCGC00012250
PCOP-771576

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
Toxoplasma gondii	kinesin motor domain-containing protein	0.0079	0.0739	0.1678
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0025	0.0084	0.0188
Schistosoma mansoni	fatty-acid amide hydrolase	0.0203	0.2265	0.3621
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0376	0.4396	1
Echinococcus multilocularis	kinesin family 1	0.0606	0.7223	1
Mycobacterium tuberculosis	Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase)	0.0025	0.0084	0.0188
Mycobacterium tuberculosis	Probable oxidoreductase	0.0025	0.0084	0.0188
Mycobacterium leprae	POSSIBLE OXIDOREDUCTASE	0.0025	0.0084	0.0029
Mycobacterium ulcerans	amidase	0.0024	0.0072	0.0159
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0025	0.0084	0.0188
Mycobacterium tuberculosis	Possible oxidoreductase	0.0025	0.0084	0.0188
Schistosoma mansoni	fatty-acid amide hydrolase	0.0024	0.0072	0.0115
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0085	0.0811	0.1123
Mycobacterium ulcerans	short chain dehydrogenase	0.0025	0.0084	0.0188
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0539	0.0539
Trypanosoma brucei	pteridine reductase 1	0.0025	0.0084	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0025	0.0084	0.0188
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0025	0.0084	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0002	0.0003
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0024	0.0072	0.0158
Schistosoma mansoni	ap endonuclease	0.0019	0.0002	0.0003
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0024	0.0072	0.01
Mycobacterium ulcerans	short chain dehydrogenase	0.0025	0.0084	0.0188
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0085	0.0811	0.1841
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0024	0.0072	0.0159
Toxoplasma gondii	short chain dehydrogenase family protein, putative	0.0025	0.0084	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0084	0.0084
Brugia malayi	Amidase family protein	0.0024	0.0072	0.0218
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0025	0.0084	0.0188
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0203	0.2265	0.3136
Schistosoma mansoni	transient receptor potential cation channel subfamily A member	0.0482	0.5693	0.9102
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0025	0.0084	0.0084
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0024	0.0072	0.0159
Mycobacterium ulcerans	short chain dehydrogenase	0.0025	0.0084	0.0188
Giardia lamblia	Histone acetyltransferase GCN5	0.0078	0.0724	0.9797
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0024	0.0072	0.01
Leishmania major	3-oxoacyl-ACP reductase, putative	0.0025	0.0084	1
Loa Loa (eye worm)	amidase	0.0024	0.0072	0.0072
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0376	0.4396	1
Mycobacterium ulcerans	20-beta-hydroxysteroid dehydrogenase FabG3	0.0025	0.0084	0.0188
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0024	0.0072	0.0159
Loa Loa (eye worm)	acetyltransferase	0.0288	0.3307	0.3307
Mycobacterium ulcerans	amidase	0.0024	0.0072	0.0159
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0085	0.0811	0.1841
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0025	0.0084	0.0188
Mycobacterium ulcerans	amidase	0.0024	0.0072	0.0159
Brugia malayi	RNA binding protein	0.0062	0.0539	0.163
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0019	0.0003	0.0105
Mycobacterium tuberculosis	Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase)	0.0025	0.0084	0.0188
Leishmania major	pteridine reductase 1	0.0025	0.0084	1
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0539	0.0539
Schistosoma mansoni	kinesin eg-5	0.0079	0.0739	0.1182
Mycobacterium ulcerans	short chain dehydrogenase	0.0025	0.0084	0.0188
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0539	0.163
Mycobacterium ulcerans	oxidoreductase	0.0025	0.0084	0.0188
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0025	0.0084	0.0188
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0025	0.0084	0.0188
Chlamydia trachomatis	oxoacy-ACP reductase	0.0025	0.0084	0.0186
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0025	0.0084	0.0255
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0026	0.0093	0.0129
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0025	0.0084	0.0084
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0539	0.0746
Mycobacterium leprae	3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE FABG1 (3-KETOACYL-ACYL CARRIER PROTEIN REDUCTASE) (MYCOLIC ACID BIOSYNTHESIS A PROTEI	0.0025	0.0084	0.0029
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0025	0.0084	0.0188
Mycobacterium tuberculosis	Possible oxidoreductase	0.0025	0.0084	0.0188
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0025	0.0084	0.0188
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0376	0.4396	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0025	0.0084	0.0188
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0024	0.0072	0.0159
Loa Loa (eye worm)	kinesin-like protein KLP2	0.0079	0.0739	0.0739
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0025	0.0084	0.1118
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0203	0.2265	0.3136
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0002	0.0003
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0085	0.0811	0.1841
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0025	0.0084	1
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0024	0.0072	1
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0025	0.0084	1
Echinococcus granulosus	transient receptor potential cation channel	0.0495	0.5852	0.8102
Brugia malayi	TAR-binding protein	0.0062	0.0539	0.163
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0085	0.0811	0.1841
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0024	0.0072	0.01
Mycobacterium ulcerans	amidase	0.0024	0.0072	0.0159
Brugia malayi	putative amidase	0.0024	0.0072	0.0218
Entamoeba histolytica	acetyltransferase, GNAT family	0.0078	0.0724	0.9797
Toxoplasma gondii	3-ketoacyl-(acyl-carrier-protein) reductase	0.0025	0.0084	0.0188
Onchocerca volvulus		0.0025	0.0084	1
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0025	0.0084	0.0117
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0539	0.0862
Mycobacterium ulcerans	short chain dehydrogenase	0.0025	0.0084	0.0188
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0002	0.0002
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0376	0.4396	1
Plasmodium vivax	kinesin-5	0.0079	0.0739	0.1678
Echinococcus multilocularis	transient receptor potential cation channel	0.0496	0.5861	0.8115
Entamoeba histolytica	kinesin, putative	0.0079	0.0739	1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0025	0.0084	0.0188
Loa Loa (eye worm)	hypothetical protein	0.0203	0.2265	0.2265
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0019	0.0003	0.0002
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0203	0.2265	0.3136
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0024	0.0072	0.8496
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0025	0.0084	0.0255
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0019	0.0003	0.0105
Loa Loa (eye worm)	oxidoreductase	0.0025	0.0084	0.0084
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0025	0.0084	0.0117
Mycobacterium ulcerans	short chain dehydrogenase	0.0025	0.0084	0.0188
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0539	0.0862
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0024	0.0072	0.0159
Trichomonas vaginalis	hypothetical protein	0.0376	0.4396	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0002	0.0006
Brugia malayi	acetyltransferase, GNAT family protein	0.0288	0.3307	1
Brugia malayi	Kinesin motor domain containing protein	0.0079	0.0739	0.2235
Echinococcus multilocularis	nmda type glutamate receptor	0.0026	0.0093	0.0129
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0025	0.0084	0.0188
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	0.0025	0.0084	0.0188
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0025	0.0084	0.0188
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0024	0.0072	0.0159
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0024	0.0072	0.0159
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0539	0.0746
Echinococcus granulosus	nmda type glutamate receptor	0.0026	0.0093	0.0129
Trypanosoma brucei	oxidoreductase-like protein	0.0025	0.0084	1
Schistosoma mansoni	dihydropteridine reductase	0.0025	0.0084	0.0135
Schistosoma mansoni	hypothetical protein	0.0528	0.6255	1
Brugia malayi	amidase	0.0203	0.2265	0.685
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0203	0.2265	0.3136
Brugia malayi	Amidase family protein	0.0024	0.0072	0.0218
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0376	0.4396	1
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0288	0.3307	0.5287
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0025	0.0084	0.0135
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0025	0.0084	0.0188
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0025	0.0084	1
Schistosoma mansoni	ap endonuclease	0.0019	0.0002	0.0003
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0025	0.0084	1
Plasmodium falciparum	histone acetyltransferase GCN5	0.0078	0.0724	0.1644
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0376	0.4396	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0539	0.0539
Mycobacterium ulcerans	short chain dehydrogenase	0.0025	0.0084	0.0188
Plasmodium falciparum	kinesin-5	0.0079	0.0739	0.1678
Onchocerca volvulus		0.0025	0.0084	1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0025	0.0084	0.0188
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0025	0.0084	0.0188
Schistosoma mansoni	amidase	0.0203	0.2265	0.3621
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0025	0.0084	0.0188
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0024	0.0072	0.0159
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0025	0.0084	0.0188
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0288	0.3307	0.4578
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0025	0.0084	0.0188
Trypanosoma cruzi	amidase, putative	0.0024	0.0072	0.8496
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0376	0.4396	1
Trypanosoma cruzi	amidase, putative	0.0024	0.0072	0.8496
Echinococcus multilocularis	ankyrin repeat protein	0.0482	0.5693	0.7882
Leishmania major	hypothetical protein, conserved	0.0024	0.0072	0.8496
Mycobacterium ulcerans	short chain dehydrogenase	0.0025	0.0084	0.0188
Mycobacterium ulcerans	short chain dehydrogenase	0.0025	0.0084	0.0188
Loa Loa (eye worm)	amidase	0.0024	0.0072	0.0072
Giardia lamblia	Kinesin-5	0.0079	0.0739	1
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0024	0.0072	0.0115
Echinococcus granulosus	histone acetyltransferase KAT2B	0.028	0.3207	0.4441
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0025	0.0084	0.0188
Mycobacterium ulcerans	peptide amidase, GatA	0.0024	0.0072	0.0159
Echinococcus granulosus	kinesin family 1	0.0606	0.7223	1
Echinococcus granulosus	ankyrin repeat protein	0.0482	0.5693	0.7882
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0025	0.0084	0.0188
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0539	0.0862
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0025	0.0084	0.0188
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0025	0.0084	0.0188
Mycobacterium ulcerans	amidase	0.0024	0.0072	0.0159
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0539	0.0862
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0025	0.0084	1
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0024	0.0072	0.0159
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0376	0.4396	1
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0019	0.0003	0.0002
Leishmania major	oxidoreductase-like protein	0.0025	0.0084	1
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0024	0.0072	0.01
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0085	0.0811	0.1841
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] reductase, putative	0.0025	0.0084	0.0188
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0025	0.0084	0.0188
Mycobacterium ulcerans	short chain dehydrogenase	0.0025	0.0084	0.0188
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0539	0.0862

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-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-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-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-cyp2d6 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-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1742344

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 1516484