TDR Targets

Basic information

Technical information

TDR Targets ID: 1629185
Name: AIDS140981
MW: 313.354 | Formula: C16H19N5O2
H donors: 0 H acceptors: 2 LogP: -0.06 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N(C)C(N2CCCC2)c2c(N1C)nc1n(c2=O)cccc1
InChi: 1S/C16H19N5O2/c1-18-13-12(15(22)21-10-4-3-7-11(21)17-13)14(19(2)16(18)23)20-8-5-6-9-20/h3-4,7,10,14H,5-6,8-9H2,1-2H3
InChiKey: SCYIJMFOQXBCKC-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

NSC655162
NCI60_019089
1,3-Dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione
AIDS-140981

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1047	0.6149	0.6087
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0199	0.0361	0.0361
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0307	0.1099	0.0522
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.02	0.0372	0.0012
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1611	1	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0542	0.2704	0.2431
Loa Loa (eye worm)	phosphatidylinositol 3	0.0263	0.08	0.0676
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1199	0.7187	0.7142
Loa Loa (eye worm)	phosphatidylinositol 3	0.0542	0.2704	0.2607
Loa Loa (eye worm)	hypothetical protein	0.0342	0.1337	0.122
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1199	0.7187	0.7142
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0964	0.5582	0.5511
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0954	0.5517	0.5445
Trichomonas vaginalis	PIKK family atypical protein kinase	0.087	0.4941	0.486
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1199	0.7187	0.7142
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1611	1	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1611	1	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.1283	0.7763	0.7679
Trichomonas vaginalis	conserved hypothetical protein	0.0342	0.1337	0.1198
Loa Loa (eye worm)	hypothetical protein	0.02	0.0372	0.0243
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0542	0.2704	0.1803
Loa Loa (eye worm)	hypothetical protein	0.0307	0.1099	0.098
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1611	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0307	0.1099	0.0766
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0763	0.4214	0.35
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1282	0.7754	0.7718
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1611	1	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1611	1	1
Loa Loa (eye worm)	hypothetical protein	0.0328	0.1241	0.1124
Loa Loa (eye worm)	phosphatidylinositol 3	0.1611	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1611	1	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0542	0.2704	0.2607
Loa Loa (eye worm)	hypothetical protein	0.0235	0.0609	0.0483
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1376	0.8395	0.8369
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0307	0.1099	0.098
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0542	0.2704	0.2231
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1283	0.7763	0.7487
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0235	0.0609	0.0483
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0307	0.1099	0.0957
Toxoplasma gondii	target of rapamycin (TOR), putative	0.1199	0.7187	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1081	0.6386	0.6328
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1282	0.7754	0.7718
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0871	0.495	0.4869
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0235	0.0609	0.0483
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0282	0.0932	0.0344
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0307	0.1099	0.0766
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0307	0.1099	0.098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1199	0.7187	0.7142
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0199	0.0361	0.0232
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0871	0.495	0.4869
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1199	0.7187	0.7142
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1611	1	1
Entamoeba histolytica	protein kinase rad3, putative	0.0307	0.1099	0.1099
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0179	0.0228	0.0228
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0871	0.495	0.4869
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0282	0.0932	0.081
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1199	0.7187	0.7142
Entamoeba histolytica	hypothetical protein	0.0179	0.0228	0.0228
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1199	0.7187	0.7142
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1611	1	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0307	0.1099	0.1099
Entamoeba histolytica	hypothetical protein	0.0307	0.1099	0.1099
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0282	0.0932	0.081
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1282	0.7754	0.7718
Giardia lamblia	GTOR	0.1611	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0235	0.0609	0.0459
Trichomonas vaginalis	PIKK family atypical protein kinase	0.087	0.4941	0.486
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0964	0.5582	0.5511
Trichomonas vaginalis	conserved hypothetical protein	0.02	0.0372	0.0218
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0199	0.0361	0.0206
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1283	0.7763	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1282	0.7754	0.7718
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0871	0.495	0.4869
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0342	0.1337	0.039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0954	0.5517	0.5445
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0307	0.1099	0.0957
Trichomonas vaginalis	PIKK family atypical protein kinase	0.087	0.4941	0.486
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0199	0.0361	0.0206
Echinococcus granulosus	serine protein kinase ATM	0.0307	0.1099	0.098
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0542	0.2704	0.2607
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0542	0.2704	0.2607
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0964	0.5582	0.5511
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0542	0.2704	0.2587
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0542	0.2704	0.2587
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1611	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0307	0.1099	0.0957
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1611	1	1
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0671	0.3583	0.279
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0307	0.1099	0.098
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0542	0.2704	0.1803
Brugia malayi	FAT domain containing protein	0.0235	0.0609	0.0483
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0307	0.1099	0.0522
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1611	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0542	0.2704	0.2587
Trichomonas vaginalis	PIKK family atypical protein kinase	0.02	0.0372	0.0218
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0542	0.2704	0.2587
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1611	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0434	0.1969	0.184
Echinococcus multilocularis	serine protein kinase ATM	0.0307	0.1099	0.098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1282	0.7754	0.7718
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0199	0.0361	0.0206
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0542	0.2704	0.2431
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0542	0.2704	0.2587
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1611	1	1
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0307	0.1099	0.098

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.477	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)	-4.434	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)	-4.37	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.265	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 ACHN 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 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 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 MALME-3M 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: CHEMBL1997494

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 1629185