Detailed information for compound 300020

Basic information

Technical information
  • TDR Targets ID: 300020
  • Name: 2-amino-N-(3-aminopropyl)-4-oxo-1,7-dihydropy rrolo[2,3-d]pyrimidine-5-carboxamide
  • MW: 250.257 | Formula: C10H14N6O2
  • H donors: 5 H acceptors: 4 LogP: -1.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCCNC(=O)c1c[nH]c2c1c(O)nc(n2)N
  • InChi: 1S/C10H14N6O2/c11-2-1-3-13-8(17)5-4-14-7-6(5)9(18)16-10(12)15-7/h4H,1-3,11H2,(H,13,17)(H4,12,14,15,16,18)
  • InChiKey: VJLKKBXETQVDAL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-azanyl-N-(3-azanylpropyl)-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
  • 2-amino-N-(3-aminopropyl)-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
  • echiguanine B
  • 2-amino-N-(3-aminopropyl)-4-oxo-1,7-dihydropyrrolo[4,5-e]pyrimidine-5-carboxamide
  • 2-amino-N-(3-aminopropyl)-4-keto-1,7-dihydropyrrolo[4,5-e]pyrimidine-5-carboxamide
  • 137319-26-7
  • 1H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 2-amino-N-(3-aminopropyl)-4,7-dihydro-4-oxo-
  • N-(3-Aminopropyl)-2-amino-4-hydroxy-7H-pyrrolo(2,3-d)pyrimidine-5-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phosphatidylinositol 4-kinase, catalytic, alpha Starlite/ChEMBL No references
Homo sapiens phosphatidylinositol 4-kinase, catalytic, beta No references
Homo sapiens phosphatidylinositol 4-kinase type 2 beta No references
Homo sapiens phosphatidylinositol 4-kinase type 2 alpha No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Trypanosoma congolense phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Trypanosoma congolense phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Neospora caninum hypothetical protein Get druggable targets OG5_128362 All targets in OG5_128362
Leishmania infantum phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Schistosoma mansoni phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Leishmania mexicana phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Candida albicans Phosphatidylinositol-4-kinase. Get druggable targets OG5_128362 All targets in OG5_128362
Leishmania braziliensis phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Cryptosporidium parvum phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Leishmania major phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_127682 All targets in OG5_127682
Schistosoma japonicum expressed protein Get druggable targets OG5_128362 All targets in OG5_128362
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Schistosoma mansoni hypothetical protein Get druggable targets OG5_128362 All targets in OG5_128362
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase Get druggable targets OG5_128362 All targets in OG5_128362
Cryptosporidium hominis phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_129656 All targets in OG5_129656
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129656 All targets in OG5_129656
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha Get druggable targets OG5_128362 All targets in OG5_128362
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta Get druggable targets OG5_129656 All targets in OG5_129656
Leishmania donovani phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Schistosoma japonicum ko:K00888 phosphatidylinositol 4-kinase [EC2.7.1.67], putative Get druggable targets OG5_127682 All targets in OG5_127682
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative Get druggable targets OG5_128362 All targets in OG5_128362
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128362 All targets in OG5_128362
Babesia bovis phosphatidylinositol 4 kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_129656 All targets in OG5_129656
Schistosoma mansoni phosphatidylinositol 4-kinase Get druggable targets OG5_128362 All targets in OG5_128362
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta Get druggable targets OG5_129656 All targets in OG5_129656
Onchocerca volvulus Get druggable targets OG5_129656 All targets in OG5_129656
Candida albicans regulation of actin cytoskeletal organization Get druggable targets OG5_129656 All targets in OG5_129656
Entamoeba histolytica phosphatidylinositol 4-kinase, putative Get druggable targets OG5_128362 All targets in OG5_128362
Trichomonas vaginalis phosphatidylinositol kinase, putative Get druggable targets OG5_128362 All targets in OG5_128362
Plasmodium berghei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Toxoplasma gondii phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta Get druggable targets OG5_129656 All targets in OG5_129656
Leishmania donovani phosphatidylinositol-kinase domain protein, putative Get druggable targets OG5_128362 All targets in OG5_128362
Candida albicans phosphatidyl inositol kinase at the alpha mating type-like locus in C. albicans Get druggable targets OG5_127682 All targets in OG5_127682
Plasmodium knowlesi phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Loa Loa (eye worm) phosphatidylinositol kinase Get druggable targets OG5_129656 All targets in OG5_129656
Echinococcus multilocularis Get druggable targets OG5_127682 All targets in OG5_127682
Trypanosoma congolense phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Plasmodium falciparum phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Trypanosoma brucei gambiense phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Schistosoma japonicum ko:K00888 phosphatidylinositol 4-kinase [EC2.7.1.67], putative Get druggable targets OG5_128362 All targets in OG5_128362
Leishmania mexicana phosphatidylinositol-kinase domain protein, putative Get druggable targets OG5_128362 All targets in OG5_128362
Schistosoma japonicum Phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Candida albicans Phosphatidylinositol-4-kinase. Get druggable targets OG5_128362 All targets in OG5_128362
Leishmania braziliensis phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Echinococcus granulosus phosphatidylinositol 4 kinase alpha Get druggable targets OG5_128362 All targets in OG5_128362
Plasmodium yoelii phosphatidylinositol 4-kinase-related Get druggable targets OG5_127682 All targets in OG5_127682
Leishmania infantum phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta Get druggable targets OG5_129656 All targets in OG5_129656
Candida albicans regulation of actin cytoskeletal organization Get druggable targets OG5_129656 All targets in OG5_129656
Echinococcus granulosus phosphatidylinositol 4 kinase beta Get druggable targets OG5_127682 All targets in OG5_127682
Plasmodium vivax phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Trypanosoma brucei gambiense phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Theileria parva phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_129656 All targets in OG5_129656
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide Get druggable targets OG5_128362 All targets in OG5_128362
Candida albicans phosphatidyl inositol kinase-like orf at the a mating type-like locus in C. albicans Get druggable targets OG5_127682 All targets in OG5_127682
Schistosoma japonicum Phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Neospora caninum hypothetical protein Get druggable targets OG5_127682 All targets in OG5_127682
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative Get druggable targets OG5_128362 All targets in OG5_128362
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128362 All targets in OG5_128362
Giardia lamblia Phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein Get druggable targets OG5_127682 All targets in OG5_127682
Leishmania major phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Trypanosoma brucei phosphatidylinositol 4-kinase, putative Get druggable targets OG5_127682 All targets in OG5_127682
Schistosoma mansoni phosphatidylinositol 4-kinase type-II Get druggable targets OG5_129656 All targets in OG5_129656
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 Get druggable targets OG5_128362 All targets in OG5_128362
Toxoplasma gondii 1-phosphatidylinositol 4-kinase Get druggable targets OG5_127682 All targets in OG5_127682
Loa Loa (eye worm) phosphatidylinositol 3 Get druggable targets OG5_129656 All targets in OG5_129656
Onchocerca volvulus Get druggable targets OG5_129656 All targets in OG5_129656
Brugia malayi hypothetical protein Get druggable targets OG5_128362 All targets in OG5_128362
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0261 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0082 0.1943 0.1943
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0082 0.1943 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0062 0.1069 0.5502
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0062 0.1069 0.5502
Echinococcus multilocularis 0.0068 0.1311 0.1311
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0062 0.1069 0.5502
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0062 0.1069 0.8155
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0062 0.1069 0.5502
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0062 0.1069 0.5502
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0082 0.1943 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0062 0.1069 0.5502
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0062 0.1069 0.1069
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0 0.5
Loa Loa (eye worm) phosphatidylinositol kinase 0.0261 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0068 0.1311 0.1311
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0082 0.1943 0.1943
Loa Loa (eye worm) hypothetical protein 0.0261 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0068 0.1311 0.1311
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0062 0.1069 0.1069
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0062 0.1069 0.1069
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0068 0.1311 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0068 0.1311 0.6747
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0062 0.1069 0.5502
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0062 0.1069 0.5502
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0062 0.1069 0.5502
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0062 0.1069 0.8155
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0082 0.1943 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0068 0.1311 0.6747
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0261 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0261 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0062 0.1069 0.5502
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0261 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0062 0.1069 0.4492
Loa Loa (eye worm) phosphatidylinositol 3 0.0261 1 1
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0062 0.1069 0.5502
Onchocerca volvulus 0.0261 1 0.5
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0082 0.1943 0.1943
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0062 0.1069 0.5502
Giardia lamblia Phosphatidylinositol 4-kinase 0.0068 0.1311 1
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0082 0.1943 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0058 0.0874 0.3672
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0062 0.1069 0.5502
Leishmania major phosphatidylinositol 4-kinase, putative 0.0068 0.1311 0.6747
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0068 0.1311 1
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0082 0.1943 0.1943
Loa Loa (eye worm) phosphatidylinositol 3 0.0261 1 1
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.0068 0.1311 0.6747
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0062 0.1069 0.5502
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0068 0.1311 0.1311
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0062 0.1069 0.5502
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0062 0.1069 0.1069
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0062 0.1069 0.1069
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0062 0.1069 0.1069
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0062 0.1069 0.1069
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0082 0.1943 1
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0062 0.1069 0.5502
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0062 0.1069 0.5502
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0261 1 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0062 0.1069 0.1069
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0082 0.1943 0.1943
Onchocerca volvulus 0.0261 1 0.5
Echinococcus multilocularis Zinc finger, PHD finger 0.0062 0.1069 0.1069
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0062 0.1069 0.1069
Mycobacterium leprae conserved hypothetical protein 0.0039 0 0.5
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0082 0.1943 1
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0068 0.1311 0.1311
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0062 0.1069 0.5502
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0082 0.1943 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0062 0.1069 0.1069
Entamoeba histolytica hypothetical protein 0.0062 0.1069 0.5502
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0062 0.1069 0.5502
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0261 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0092 0.2379 1
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0062 0.1069 0.8155
Loa Loa (eye worm) hypothetical protein 0.0062 0.1069 0.1069
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0062 0.1069 0.1069
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0062 0.1069 0.1069
Leishmania major phosphatidylinositol 3-kinase, putative 0.0062 0.1069 0.5502

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.18 ug ml-1 Inhibition of Phosphatidylinositol 4-kinase of human epidermoid carcinoma A431 cells ChEMBL. No reference
IC50 (binding) = 0.18 ug ml-1 Inhibition of Phosphatidylinositol 4-kinase of human epidermoid carcinoma A431 cells ChEMBL. No reference
LD50 (ADMET) > 100 mg kg-1 Toxicity in ip dosed mouse ChEMBL. 1666120

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

Bibliographic References

No literature references available for this target.

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