TDR Targets

Basic information

Technical information

TDR Targets ID: 1608406
Name: (3aS,6aR)-spiro[1,3,3a,5,6,6a-hexahydrocyclop enta[d]pyrrole-4,1'-cyclopropane]-2-one
MW: 151.206 | Formula: C9H13NO
H donors: 1 H acceptors: 1 LogP: 1.03 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N[C@H]2[C@@H](C1)C1(CC2)CC1
InChi: 1S/C9H13NO/c11-8-5-6-7(10-8)1-2-9(6)3-4-9/h6-7H,1-5H2,(H,10,11)/t6-,7-/m1/s1
InChiKey: UWUUUVYYOGWZAC-RNFRBKRXSA-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

(3aS,6aR)-2-spiro[1,3,3a,5,6,6a-hexahydrocyclopenta[d]pyrrole-4,1'-cyclopropane]one
NCI60_015471

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
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0147	0.0335	0.0335
Schistosoma mansoni	serine/threonine protein kinase	0.1032	0.2821	0.2821
Brugia malayi	MH1 domain containing protein	0.0034	0.0016	0.0016
Echinococcus granulosus	GTPase activating Rap:RanGAP domain 3	0.1019	0.2786	0.2786
Entamoeba histolytica	hypothetical protein	0.0147	0.0335	0.7321
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0036	0.0021	0.0021
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0206	0.4316
Loa Loa (eye worm)	Smad1	0.0034	0.0016	0.0016
Schistosoma mansoni	cellular tumor antigen P53	0.0104	0.0214	0.0214
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0116	0.0116
Entamoeba histolytica	hypothetical protein	0.0147	0.0335	0.7321
Brugia malayi	MH2 domain containing protein	0.0034	0.0016	0.0016
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.0116	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0067	0.007
Loa Loa (eye worm)	MH2 domain-containing protein	0.0034	0.0016	0.0016
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0016	0.0016
Echinococcus multilocularis	GTPase activating Rap:RanGAP domain 3	0.1019	0.2786	0.2786
Echinococcus granulosus	protein kinase	0.244	0.678	0.678
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0034	0.0016	0.0016
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0188	0.045	0.045
Loa Loa (eye worm)	transcription factor SMAD2	0.0495	0.1314	0.1367
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0063	0.0098	0.0098
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0188	0.045	0.045
Loa Loa (eye worm)	STE/STE20/KHS protein kinase	0.1032	0.2821	0.2936
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0237	0.5037
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.015	0.0342	0.1162
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1019	0.2786	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0314	0.684
Trypanosoma brucei	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1019	0.2786	1
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0116	0.0116
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0206	0.4316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.045	1
Schistosoma mansoni	hypothetical protein	0.0147	0.0335	0.0335
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0237	0.5037
Echinococcus granulosus	Vam6:Vps39 protein	0.1019	0.2786	0.2786
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0063	0.0098	0.028
Brugia malayi	hypothetical protein	0.0147	0.0335	0.0347
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0207	0.4327
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.1032	0.2821	0.2821
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0161	0.0373	0.8197
Trichomonas vaginalis	PIKK family atypical protein kinase	0.015	0.0342	0.7477
Entamoeba histolytica	hypothetical protein	0.0147	0.0335	0.7321
Trichomonas vaginalis	PIKK family atypical protein kinase	0.015	0.0342	0.7477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0098	0.1803
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.015	0.0342	0.6934
Echinococcus granulosus	serine:threonine protein kinase mig 15	0.3446	0.961	0.961
Echinococcus multilocularis	serine protein kinase ATM	0.0036	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0021	0.0022
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.1032	0.2821	0.2821
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0016	0.0016
Brugia malayi	MH1 domain containing protein	0.0034	0.0016	0.0016
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0188	0.045	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0032	0.0034
Toxoplasma gondii	target of rapamycin (TOR), putative	0.014	0.0314	1
Brugia malayi	hypothetical protein	0.1019	0.2786	0.2889
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0111	0.0234	0.4963
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1019	0.2786	0.2786
Schistosoma mansoni	hypothetical protein	0.0036	0.0021	0.0021
Schistosoma mansoni	microtubule-associated protein tau	0.3585	1	1
Onchocerca volvulus		0.1019	0.2786	1
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0036	0.0021	0.0021
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0207	0.4327
Echinococcus granulosus	tumor protein p63	0.0712	0.1921	0.1921
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.004	0.0032	0.039
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0036	0.0021	0.0022
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0036	0.0021	0.0021
Schistosoma mansoni	hypothetical protein	0.1019	0.2786	0.2786
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0051	0.0063	0.0976
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0063	0.0098	0.0102
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0314	0.684
Echinococcus granulosus	serine protein kinase ATM	0.0036	0.0021	0.0021
Trypanosoma cruzi	target of rapamycin kinase 3	0.015	0.0342	0.1162
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0314	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0314	0.684
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1032	0.2821	0.2821
Loa Loa (eye worm)	hypothetical protein	0.1019	0.2786	0.2899
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0188	0.045	0.045
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0188	0.045	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0078	0.0141	0.0433
Echinococcus multilocularis	smad	0.0034	0.0016	0.0016
Onchocerca volvulus		0.0104	0.0214	0.0766
Echinococcus multilocularis	Smad4	0.0034	0.0016	0.0016
Echinococcus multilocularis	tumor protein p63	0.0712	0.1921	0.1921
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0063	0.0098	0.028
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0036	0.0021	0.0021
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0188	0.045	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0021	0.0022
Schistosoma mansoni	Smad4	0.0034	0.0016	0.0016
Brugia malayi	probable protein kinase	0.3459	0.9645	1
Loa Loa (eye worm)	STE/STE20/MSN protein kinase	0.244	0.678	0.7055
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1032	0.2821	0.2821
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0314	0.684
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0207	0.4327
Loa Loa (eye worm)	hypothetical protein	0.3446	0.961	1
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0188	0.045	0.1552
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.0116	0.0121
Loa Loa (eye worm)	MH2 domain-containing protein	0.0495	0.1314	0.1367
Schistosoma mansoni	protein kinase	0.3459	0.9645	0.9645
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0207	0.4327
Loa Loa (eye worm)	MH1 domain-containing protein	0.0034	0.0016	0.0016
Giardia lamblia	GTOR	0.0188	0.045	0.5
Echinococcus multilocularis	microtubule associated protein 2	0.3585	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0029	0.003
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0034	0.0016	0.0016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0122	0.0264	0.5673
Loa Loa (eye worm)	hypothetical protein	0.1019	0.2786	0.2899
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0034	0.0016	0.0016
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.0032	0.0266
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0067	0.007
Brugia malayi	RNA binding protein	0.007	0.0116	0.0121
Trichomonas vaginalis	PIKK family atypical protein kinase	0.015	0.0342	0.7477
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0098	0.1803
Loa Loa (eye worm)	phosphatidylinositol 3	0.0063	0.0098	0.0102
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0034	0.0016	0.0016
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0188	0.045	0.1552
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0063	0.0098	0.0098
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0116	0.0116
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0098	0.1803
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0021	0.0022
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.045	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0067	0.007
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0063	0.0098	0.0098
Echinococcus granulosus	tar DNA binding protein	0.007	0.0116	0.0116
Loa Loa (eye worm)	phosphatidylinositol 3	0.0188	0.045	0.0468
Schistosoma mansoni	vam6/vps39 related	0.1019	0.2786	0.2786
Schistosoma mansoni	mitogen-activated protein kinase kinase kinase 3 mapkkk3 mekk3	0.1019	0.2786	0.2786
Brugia malayi	MH2 domain containing protein	0.0495	0.1314	0.1362
Brugia malayi	TAR-binding protein	0.007	0.0116	0.0121
Echinococcus multilocularis	tar DNA binding protein	0.007	0.0116	0.0116
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0314	0.684
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0188	0.045	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0147	0.0335	0.0335
Schistosoma mansoni	serine/threonine protein kinase	0.1032	0.2821	0.2821
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0036	0.0021	0.0022
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1032	0.2821	0.2821
Trichomonas vaginalis	PIKK family atypical protein kinase	0.014	0.0314	0.684
Trypanosoma cruzi	Vacuolar sorting protein 39 domain 1/Vacuolar sorting protein 39 domain 2, putative	0.1019	0.2786	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0111	0.0234	0.4963
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0188	0.045	0.0467
Brugia malayi	Protein kinase domain containing protein	0.1032	0.2821	0.2925
Loa Loa (eye worm)	TAR-binding protein	0.007	0.0116	0.0121
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0188	0.045	0.1552
Schistosoma mansoni	smad	0.0034	0.0016	0.0016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0188	0.045	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.015	0.0342	0.7477
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1032	0.2821	0.2821
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0116	0.0116
Brugia malayi	Temporarily assigned gene name protein 59	0.1019	0.2786	0.2889
Trichomonas vaginalis	PIKK family atypical protein kinase	0.015	0.0342	0.7477
Loa Loa (eye worm)	hypothetical protein	0.1019	0.2786	0.2899
Echinococcus multilocularis		0.244	0.678	0.678
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0214	0.0222
Echinococcus granulosus	Smad4	0.0034	0.0016	0.0016
Schistosoma mansoni	tar DNA-binding protein	0.007	0.0116	0.0116
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0188	0.045	0.1552
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0098	0.1803
Schistosoma mansoni	protein kinase	0.1032	0.2821	0.2821
Schistosoma mansoni	rap gtpase-activating protein	0.1019	0.2786	0.2786
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0016	0.0016
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0063	0.0098	0.028
Echinococcus granulosus	smad	0.0034	0.0016	0.0016
Schistosoma mansoni	transcription factor LCR-F1	0.0147	0.0335	0.0335
Brugia malayi	Smad1	0.0034	0.0016	0.0016
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0067	0.007
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0102	0.0206	0.4316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0113	0.0237	0.5037
Loa Loa (eye worm)	RNA binding protein	0.007	0.0116	0.0121
Entamoeba histolytica	hypothetical protein	0.0147	0.0335	0.7321
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0089	0.0171	0.0543
Echinococcus granulosus	mothers against decapentaplegic 5	0.0034	0.0016	0.0016
Brugia malayi	MH2 domain containing protein	0.0034	0.0016	0.0016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0126	0.0276	0.594
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0063	0.0098	0.1803
Schistosoma mansoni	protein kinase	0.244	0.678	0.678
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0063	0.0098	0.028

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (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: CHEMBL1985713

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 1608406