TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 310.372 | Formula: C13H18N4O3S
H donors: 2 H acceptors: 5 LogP: 1.62 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OCCC(c1noc(n1)c1sc(nc1C)NC(=O)C)(C)C
InChi: 1S/C13H18N4O3S/c1-7-9(21-12(14-7)15-8(2)19)10-16-11(17-20-10)13(3,4)5-6-18/h18H,5-6H2,1-4H3,(H,14,15,19)
InChiKey: XZPTXEVLPXPLSH-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	phosphatidylinositol-4,5-bisphosphate 3-kinase, catalytic subunit gamma	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania donovani	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Loa Loa (eye worm)	phosphatidylinositol 3	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania mexicana	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Leishmania infantum	phosphatidylinositol 3-kinase 2, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Schistosoma japonicum	ko:K00922 phosphatidylinositol-4,5-bisphosphate 3-kinase [EC2.7.1.153], putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	Get druggable targets OG5_127444	All targets in OG5_127444
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_127444	All targets in OG5_127444
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	Get druggable targets OG5_127444	All targets in OG5_127444

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	phosphatidylinositol 3-kinase 2, putative	0.0284	0.1163	0.1163
Treponema pallidum	methionine aminopeptidase (map)	0.0221	0.0794	0.5
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0221	0.0794	0.0203
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0221	0.0794	0.0749
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0184	0.0574	0.0527
Loa Loa (eye worm)	hypothetical protein	0.0221	0.0794	0.0794
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0221	0.0794	0.0749
Leishmania major	transcription factor-like protein	0.0221	0.0794	0.0203
Echinococcus multilocularis	xaa Pro dipeptidase	0.0221	0.0794	0.0316
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0221	0.0794	0.0749
Loa Loa (eye worm)	DNA-binding protein	0.0221	0.0794	0.0794
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0221	0.0794	0.0203
Echinococcus multilocularis	Xaa Pro aminopeptidase 3	0.0221	0.0794	0.0316
Schistosoma mansoni	family S10 non-peptidase homologue (S10 family)	0.0189	0.0604	0.0557
Giardia lamblia	Xaa-Pro dipeptidase	0.0221	0.0794	0.0512
Leishmania major	hypothetical protein, conserved	0.0221	0.0794	0.0203
Loa Loa (eye worm)	hypothetical protein	0.0189	0.0604	0.0604
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0126	0.0232	0.0183
Mycobacterium ulcerans	aminopeptidase	0.0221	0.0794	0.5
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0221	0.0794	0.0749
Schistosoma mansoni	Xaa-Pro dipeptidase (M24 family)	0.0221	0.0794	0.0749
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0189	0.0604	0.0604
Chlamydia trachomatis	methionine aminopeptidase	0.0221	0.0794	0.5
Echinococcus multilocularis	xaa pro aminopeptidase	0.0221	0.0794	0.0316
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0221	0.0794	0.0749
Brugia malayi	Serine carboxypeptidase F41C3.5 precursor	0.0189	0.0604	0.0557
Echinococcus multilocularis	methionine aminopeptidase, type I	0.0221	0.0794	0.0316
Plasmodium falciparum	methionine aminopeptidase 2	0.1782	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0275	0.1114	0.107
Mycobacterium ulcerans	dipeptidase PepE	0.0221	0.0794	0.5
Echinococcus multilocularis	FACT complex subunit SPT16	0.0221	0.0794	0.0316
Leishmania major	aminopeptidase P, putative,metallo-peptidase, Clan MG, Family M24	0.0221	0.0794	0.0203
Schistosoma mansoni	aminopeptidase P1 (M24 family)	0.0221	0.0794	0.0749
Entamoeba histolytica	hypothetical protein, conserved	0.0221	0.0794	0.0749
Trypanosoma brucei	Metallopeptidase family M24, putative	0.0221	0.0794	0.0749
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.1782	1	1
Echinococcus granulosus	lysosomal protective protein	0.0189	0.0604	0.0116
Brugia malayi	metallopeptidase family M24 containing protein	0.0221	0.0794	0.0749
Schistosoma mansoni	family S10 unassigned peptidase (S10 family)	0.0189	0.0604	0.0557
Entamoeba histolytica	hypothetical protein	0.0226	0.0821	0.0776
Trypanosoma brucei	Xaa-Pro aminopeptidase, putative	0.0221	0.0794	0.0749
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.0221	0.0794	0.0749
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0189	0.0604	0.0604
Echinococcus granulosus	xaa Pro dipeptidase	0.0221	0.0794	0.0316
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0221	0.0794	0.0749
Echinococcus granulosus	Xaa Pro aminopeptidase 3	0.0221	0.0794	0.0316
Entamoeba histolytica	peptidase, putative	0.0221	0.0794	0.0749
Echinococcus granulosus	methionine aminopeptidase type I	0.0221	0.0794	0.0316
Giardia lamblia	Methionine aminopeptidase	0.1782	1	1
Echinococcus granulosus	methionyl aminopeptidase 1 M24 family	0.0221	0.0794	0.0316
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0195	0.0639	0.0593
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M)	0.0221	0.0794	0.5
Schistosoma mansoni	proliferation-associated protein 2G4 38kDa (M24 family)	0.0221	0.0794	0.0749
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0221	0.0794	0.0203
Loa Loa (eye worm)	metallopeptidase family M24 containing protein	0.0221	0.0794	0.0794
Brugia malayi	Methionine aminopeptidase protein type I	0.0221	0.0794	0.0749
Trypanosoma cruzi	Metallopeptidase family M24, putative	0.0221	0.0794	0.0794
Plasmodium vivax	methionine aminopeptidase 2, putative	0.1782	1	1
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0284	0.1163	0.0704
Trypanosoma brucei	metallo-peptidase, Clan MG, Family M24	0.1782	1	1
Mycobacterium ulcerans	methionine aminopeptidase	0.0221	0.0794	0.5
Leishmania major	aminopeptidase P1, putative,metallo-peptidase, Clan MG, Family M24	0.0221	0.0794	0.0203
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24, putative	0.0221	0.0794	0.0794
Entamoeba histolytica	aminopeptidase, putative	0.0221	0.0794	0.0749
Brugia malayi	metallopeptidase family M24 containing protein	0.0221	0.0794	0.0749
Schistosoma mansoni	methionyl aminopeptidase 1 (M24 family)	0.0221	0.0794	0.0749
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0195	0.0639	0.0593
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0184	0.0574	0.0084
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0284	0.1163	0.1119
Entamoeba histolytica	Xaa-Pro dipeptidase, putative	0.0221	0.0794	0.0749
Mycobacterium tuberculosis	Methionine aminopeptidase MapB (map) (peptidase M)	0.0221	0.0794	0.5
Trypanosoma cruzi	aminopeptidase P, putative	0.0221	0.0794	0.0794
Mycobacterium leprae	Probable cytoplasmic peptidase PepQ	0.0221	0.0794	0.5
Treponema pallidum	aminopeptidase P	0.0221	0.0794	0.5
Mycobacterium ulcerans	dipeptidase	0.0221	0.0794	0.5
Leishmania major	methionine aminopeptidase 2, putative	0.1782	1	1
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.1782	1	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0284	0.1163	0.1119
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.1782	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0226	0.0821	0.0821
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0221	0.0794	0.0749
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0221	0.0794	0.0749
Onchocerca volvulus	Dipeptidase C homolog	0.0221	0.0794	0.0203
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0284	0.1163	0.1119
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0221	0.0794	0.0794
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0221	0.0794	0.0749
Echinococcus multilocularis	lysosomal protective protein	0.0189	0.0604	0.0116
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0221	0.0794	0.0749
Schistosoma mansoni	chromatin-specific transcription elongation factor 140 kDa subunit (M24 family)	0.0221	0.0794	0.0749
Trypanosoma cruzi	aminopeptidase P1, putative	0.0221	0.0794	0.0794
Chlamydia trachomatis	aminopeptidase P	0.0221	0.0794	0.5
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.1782	1	1
Wolbachia endosymbiont of Brugia malayi	methionine aminopeptidase	0.0221	0.0794	0.5
Brugia malayi	metallopeptidase family M24 containing protein	0.0221	0.0794	0.0749
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.1782	1	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0284	0.1163	0.1119
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0221	0.0794	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0184	0.0574	0.0574
Giardia lamblia	Xaa-Pro dipeptidase	0.0221	0.0794	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0221	0.0794	0.0794
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0221	0.0794	0.0794
Onchocerca volvulus		0.0221	0.0794	0.0203
Loa Loa (eye worm)	hypothetical protein	0.01	0.0079	0.0079
Echinococcus multilocularis	methionyl aminopeptidase 1 (M24 family)	0.0221	0.0794	0.0316
Onchocerca volvulus	FACT complex subunit SPT16 homolog	0.0221	0.0794	0.0203
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.1782	1	1
Mycobacterium tuberculosis	Dipeptidase PepE	0.0221	0.0794	0.5
Leishmania major	methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24	0.0221	0.0794	0.0203
Schistosoma mansoni	aminopeptidase P homologue (M24 family)	0.0221	0.0794	0.0749
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0284	0.1163	0.0704
Trypanosoma cruzi	metallo- peptidase, Clan MG, Family M24	0.0221	0.0794	0.0794
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0221	0.0794	0.0749
Loa Loa (eye worm)	hypothetical protein	0.0221	0.0794	0.0794
Wolbachia endosymbiont of Brugia malayi	Xaa-Pro aminopeptidase	0.0221	0.0794	0.5
Mycobacterium ulcerans	cytoplasmic peptidase PepQ	0.0221	0.0794	0.5
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0095	0.005	0.005
Echinococcus granulosus	xaa pro aminopeptidase	0.0221	0.0794	0.0316
Toxoplasma gondii	methionine aminopeptidase 2, putative	0.1782	1	1
Echinococcus granulosus	xaa Pro dipeptidase	0.0221	0.0794	0.0316
Trypanosoma brucei	methionine aminopeptidase 2, putative	0.1782	1	1
Mycobacterium tuberculosis	Methionine aminopeptidase MapA (map) (peptidase M) (MetAP)	0.0221	0.0794	0.5
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0184	0.0574	0.0084
Trypanosoma brucei	metallo- peptidase, Clan MG, Family M24	0.0221	0.0794	0.0749
Trypanosoma cruzi	serine carboxypeptidase (CBP1), putative	0.0189	0.0604	0.0604
Schistosoma mansoni	methionyl aminopeptidase 2 (M24 family)	0.1782	1	1
Trypanosoma cruzi	serine peptidase, Clan SC, Family S10, putative	0.0189	0.0604	0.0604
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0226	0.0821	0.0776
Echinococcus granulosus	Proliferation associated protein 2G4	0.0221	0.0794	0.0316
Entamoeba histolytica	methionine aminopeptidase, putative	0.1782	1	1
Brugia malayi	DNA-binding protein, 42 kDa containing protein	0.0221	0.0794	0.0749
Mycobacterium tuberculosis	Probable cytoplasmic peptidase PepQ	0.0221	0.0794	0.5
Trypanosoma brucei	methionine aminopeptidase, putative	0.0221	0.0794	0.0749
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0189	0.0604	0.0557
Echinococcus multilocularis	Proliferation associated protein 2G4	0.0221	0.0794	0.0316
Trypanosoma brucei	Facilitates chromatin transcription complex subunit spt16	0.0221	0.0794	0.0749
Trypanosoma cruzi	Metallopeptidase family M24, putative	0.0221	0.0794	0.0794
Loa Loa (eye worm)	methionine aminopeptidase type I	0.0221	0.0794	0.0794
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0284	0.1163	0.1119
Mycobacterium leprae	PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP)	0.0221	0.0794	0.5
Echinococcus granulosus	methionyl aminopeptidase 2	0.1782	1	1
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24	0.0221	0.0794	0.0794
Trichomonas vaginalis	Clan MG, familly M24, aminopeptidase P-like metallopeptidase	0.0221	0.0794	0.0749
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0284	0.1163	0.1163
Loa Loa (eye worm)	initiation factor 2-associated protein	0.1782	1	1
Trypanosoma cruzi	metallo-peptidase, Clan MG, Family M24, putative	0.0221	0.0794	0.0794
Schistosoma mansoni	peptidase	0.0221	0.0794	0.0749
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0189	0.0604	0.0557
Mycobacterium ulcerans	methionine aminopeptidase MapB	0.0221	0.0794	0.5
Trypanosoma brucei	serine peptidase, Clan SC, Family S10	0.0189	0.0604	0.0557
Onchocerca volvulus	Methionine aminopeptidase 2 homolog	0.1782	1	1
Echinococcus multilocularis	xaa Pro dipeptidase	0.0221	0.0794	0.0316
Trypanosoma cruzi	Metallopeptidase family M24/FACT complex subunit (SPT16/CDC68)/Histone chaperone Rttp106-like, putative	0.0221	0.0794	0.0794
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0284	0.1163	0.1119
Echinococcus granulosus	FACT complex subunit SPT16	0.0221	0.0794	0.0316
Echinococcus multilocularis	methionyl aminopeptidase 2	0.1782	1	1
Trypanosoma brucei	methionine aminopeptidase, type I, putative	0.0221	0.0794	0.0749

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)		Inhibition of PI3Kgamma in mouse RAW264.7 cells assessed as C5a-mediated PKB/Akt phosphorylation preincubated for 30 mins followed by C5a stimulation measured after 5 mins	ChEMBL.	24262886
IC50 (binding)	= 62 nM	Inhibition of human PI3Kgamma using PtdIns/PtdSer as substrate after 2 hrs by scintillation counting analysis in presence of gamma[33P]ATP	ChEMBL.	24262886

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: CHEMBL3092372

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 1829402