Detailed information for compound 1412280

Basic information

Technical information
  • TDR Targets ID: 1412280
  • Name: [[amino-(5,7-dimethylpyrazolo[1,5-a]pyrimidin -3-yl)methylidene]amino] N-phenylcarbamate
  • MW: 324.337 | Formula: C16H16N6O2
  • H donors: 2 H acceptors: 3 LogP: 1.96 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1)ONC(=N)c1cnn2c1nc(C)cc2C
  • InChi: 1S/C16H16N6O2/c1-10-8-11(2)22-15(19-10)13(9-18-22)14(17)21-24-16(23)20-12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,21)(H,20,23)
  • InChiKey: YAKVPJGJZAZLHW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[amino-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methylene]amino] N-phenylcarbamate
  • N-phenylcarbamic acid [[amino-(5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinyl)methylene]amino] ester
  • N-phenylcarbamic acid [[amino-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methylene]amino] ester
  • MLS000859102
  • N'-[(anilinocarbonyl)oxy]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide
  • SMR000459281

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.2117 0.671 0.6696
Schistosoma mansoni glutaminase 0.033 0.0965 0.1382
Loa Loa (eye worm) glutaminase 0.033 0.0965 0.0925
Brugia malayi glutaminase DH11.1 0.033 0.0965 0.0965
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1038 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0178 0.0135
Echinococcus multilocularis vesicular acetylcholine transporter 0.2117 0.671 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0069 0.0025
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.2583 0.381
Brugia malayi vesicular acetylcholine transporter unc-17 0.2117 0.671 0.671
Trypanosoma brucei C-8 sterol isomerase, putative 0.3139 1 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0044 0.0044 0.0044
Leishmania major C-8 sterol isomerase-like protein 0.3139 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0052 0.0009
Mycobacterium ulcerans glutaminase 0.033 0.0965 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0044 0.0044 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1038 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0044 0.0044 0.0001
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0536 0.074
Echinococcus multilocularis neutral alpha glucosidase AB 0.0044 0.0044 0.0001
Loa Loa (eye worm) hypothetical protein 0.1605 0.5064 0.5042
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1038 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.0536 0.0536
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.0536 0.074
Brugia malayi Bromodomain containing protein 0.0091 0.0195 0.0195
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.1038 0.5
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.0458 0.5
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.1038 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.2583 0.381
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0135 0.0138
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0135 0.0138
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1038 1
Trichomonas vaginalis glutaminase, putative 0.033 0.0965 0.9262
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.0458 0.5
Schistosoma mansoni vesicular acetylcholine transporter 0.2117 0.671 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1038 1
Loa Loa (eye worm) hypothetical protein 0.3139 1 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0448 0.0606
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1038 1
Schistosoma mansoni bromodomain containing protein 0.0076 0.0149 0.0158
Schistosoma mansoni alpha-glucosidase 0.0169 0.0448 0.0606
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.2117 0.671 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.0536 0.0494
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.2583 0.381
Loa Loa (eye worm) hypothetical protein 0.0049 0.0061 0.0018
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1038 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.1038 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1038 1
Echinococcus granulosus vesicular acetylcholine transporter 0.2117 0.671 1
Loa Loa (eye worm) glutaminase 2 0.033 0.0965 0.0925
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.0536 0.074
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.1038 1
Brugia malayi Bromodomain containing protein 0.0046 0.0052 0.0052
Trypanosoma cruzi C-8 sterol isomerase, putative 0.3139 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 0.9285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 5 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 26.8545 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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