Detailed information for compound 1532735

Basic information

Technical information
  • TDR Targets ID: 1532735
  • Name: 2-[[5,7-dimethyl-6-(phenylmethyl)-[1,2,4]tria zolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-(2-morp holin-4-ylethyl)acetamide
  • MW: 440.562 | Formula: C22H28N6O2S
  • H donors: 1 H acceptors: 4 LogP: 2.67 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nn2c(n1)nc(c(c2C)Cc1ccccc1)C)NCCN1CCOCC1
  • InChi: 1S/C22H28N6O2S/c1-16-19(14-18-6-4-3-5-7-18)17(2)28-21(24-16)25-22(26-28)31-15-20(29)23-8-9-27-10-12-30-13-11-27/h3-7H,8-15H2,1-2H3,(H,23,29)
  • InChiKey: ABEUPNYQZXYAJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[5,7-dimethyl-6-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-(2-morpholinoethyl)acetamide
  • 2-[[5,7-dimethyl-6-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-N-(2-morpholinoethyl)acetamide
  • 2-[[6-(benzyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thio]-N-(2-morpholinoethyl)acetamide
  • 2-[[5,7-dimethyl-6-(phenylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]sulfanyl]-N-(2-morpholin-4-ylethyl)ethanamide
  • MLS000519901
  • SMR000130316

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0026 0.036 0.0294
Loa Loa (eye worm) hypothetical protein 0.0038 0.0735 0.0735
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0965 0.1524
Brugia malayi beta-lactamase family protein 0.0038 0.0735 0.3191
Loa Loa (eye worm) beta-lactamase 0.0038 0.0735 0.0735
Mycobacterium tuberculosis Conserved protein 0.0038 0.0735 0.0814
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0231 0.1009
Plasmodium vivax ornithine aminotransferase, putative 0.0026 0.036 0.3609
Mycobacterium ulcerans L-lysine aminotransferase 0.0026 0.036 0.0395
Mycobacterium tuberculosis Probable aminotransferase 0.0184 0.5505 0.7439
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0305 0.0291
Loa Loa (eye worm) hypothetical protein 0.0052 0.1207 0.1207
Mycobacterium tuberculosis Conserved protein 0.0038 0.0735 0.0814
Trichomonas vaginalis ran, putative 0.0022 0.0231 0.0154
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0184 0.5505 0.7439
Toxoplasma gondii ABC1 family protein 0.0038 0.0735 0.7183
Loa Loa (eye worm) hypothetical protein 0.003 0.049 0.049
Leishmania major importin beta-1 subunit, putative 0.0024 0.0305 0.1911
Loa Loa (eye worm) hypothetical protein 0.0028 0.041 0.041
Mycobacterium ulcerans beta-lactamase 0.0038 0.0735 0.1094
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0026 0.036 0.0395
Trichomonas vaginalis esterase, putative 0.0038 0.0735 0.1094
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0231 0.0231
Onchocerca volvulus 0.0038 0.0735 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0149 0.0645
Schistosoma mansoni inositol monophosphatase 0.0045 0.0965 0.0924
Loa Loa (eye worm) hypothetical protein 0.0038 0.0735 0.0735
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0038 0.0735 0.0814
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0965 0.0924
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.036 0.0316
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0735 0.0693
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0026 0.036 0.0294
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0026 0.036 0.0294
Schistosoma mansoni ap endonuclease 0.002 0.0149 0.0104
Mycobacterium tuberculosis Probable lipase LipE 0.0038 0.0735 0.0814
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0026 0.036 0.0316
Loa Loa (eye worm) inositol-1 0.0045 0.0965 0.0965
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0735 0.0728
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0026 0.036 0.1564
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0231 0.1009
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0045 0.0965 0.1524
Mycobacterium tuberculosis Probable esterase LipL 0.0038 0.0735 0.0814
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0305 0.1911
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0735 0.1094
Loa Loa (eye worm) hypothetical protein 0.0038 0.0735 0.0735
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0735 0.0735
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0965 0.0924
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.004 0.0812 0.0921
Mycobacterium tuberculosis Conserved protein 0.0038 0.0735 0.0814
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0427 0.0427
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0669 0.2906
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0965 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0231 0.0187
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0965 1
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0427 0.1854
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.049 0.4188
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0026 0.036 0.0294
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0045 0.0965 0.1524
Plasmodium vivax importin-beta 2, putative 0.003 0.049 0.5831
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.049 0.4188
Mycobacterium tuberculosis Probable lipase LipD 0.0038 0.0735 0.0814
Echinococcus granulosus lamin dm0 0.0028 0.0427 0.0383
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0026 0.036 0.2592
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.1207 0.1207
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0305 0.0291
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0231 0.1009
Loa Loa (eye worm) hypothetical protein 0.0028 0.0427 0.0427
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0231 0.1003
Echinococcus granulosus intermediate filament protein 0.0028 0.0427 0.0383
Echinococcus granulosus importin subunit beta 1 0.003 0.049 0.0447
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.036 0.0395
Schistosoma mansoni lamin 0.0028 0.0427 0.0383
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0231 0.2408
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0735 0.1094
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0026 0.036 0.2592
Echinococcus multilocularis ornithine aminotransferase 0.0026 0.036 0.0316
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0812 0.0878
Schistosoma mansoni hypothetical protein 0.0036 0.0669 0.0627
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0149 0.0104
Mycobacterium tuberculosis Probable hydrolase 0.0038 0.0735 0.0814
Brugia malayi Importin beta-1 subunit 0.003 0.049 0.213
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0045 0.0196
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0735 0.0693
Brugia malayi intermediate filament protein 0.0028 0.0427 0.1854
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0735 0.0693
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0038 0.0735 0.0814
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0184 0.5505 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0231 0.1009
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0965 1
Schistosoma mansoni ran 0.0022 0.0231 0.0187
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0045 0.0196
Loa Loa (eye worm) hypothetical protein 0.0036 0.0669 0.0669
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.1207 0.5241
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0735 0.7183
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0965 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0735 0.3191
Schistosoma mansoni inositol monophosphatase 0.0045 0.0965 0.0924
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0321 1 1
Mycobacterium ulcerans hypothetical protein 0.0038 0.0735 0.1094
Echinococcus multilocularis importin subunit beta 1 0.003 0.049 0.0447
Schistosoma mansoni importin beta-1 0.003 0.049 0.0447
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0038 0.0735 0.0814
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0305 0.0291
Loa Loa (eye worm) hypothetical protein 0.0038 0.0735 0.0735
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0735 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0735 0.0735
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0231 1
Schistosoma mansoni intermediate filament proteins 0.0028 0.0427 0.0383
Schistosoma mansoni ran 0.0022 0.0231 0.0187
Echinococcus multilocularis lamin dm0 0.0028 0.0427 0.0383
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0231 0.0187
Brugia malayi beta-lactamase 0.0038 0.0735 0.3191
Plasmodium falciparum importin beta, putative 0.003 0.049 1
Mycobacterium ulcerans acetylornithine aminotransferase 0.0026 0.036 0.0395
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0026 0.036 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.1207 0.5241
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0427 0.0427
Loa Loa (eye worm) hypothetical protein 0.0016 0.0045 0.0045
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0184 0.5505 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0735 0.1094
Mycobacterium tuberculosis Possible penicillin-binding protein 0.024 0.7348 1
Schistosoma mansoni hypothetical protein 0.0321 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0045 0.0045
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0735 0.1094
Leishmania major GTP-binding protein, putative 0.0022 0.0231 0.1009
Echinococcus granulosus lamin 0.0028 0.0427 0.0383
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0735 0.1094
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0026 0.036 0.0395
Brugia malayi beta-lactamase family protein 0.0038 0.0735 0.3191
Echinococcus multilocularis snurportin 1 0.0321 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0735 0.7183
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0735 0.7183
Loa Loa (eye worm) hypothetical protein 0.0038 0.0735 0.0735
Mycobacterium ulcerans lipase LipD 0.0038 0.0735 0.1094
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0149 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0735 0.1094
Onchocerca volvulus 0.0038 0.0735 1
Mycobacterium ulcerans hypothetical protein 0.0184 0.5505 1
Echinococcus multilocularis lamin 0.0028 0.0427 0.0383
Entamoeba histolytica hypothetical protein 0.0024 0.0305 0.1911
Entamoeba histolytica Ran family GTPase 0.0022 0.0231 0.1009
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0735 0.0693
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0965 1
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0735 0.1094
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.049 0.4188
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0965 1
Echinococcus granulosus ornithine aminotransferase 0.0026 0.036 0.0316
Leishmania major hypothetical protein, conserved 0.0038 0.0735 0.7183
Onchocerca volvulus 0.0038 0.0735 1
Brugia malayi RNA, U transporter 1 0.0086 0.2303 1
Echinococcus multilocularis Aminotransferase class III 0.0026 0.036 0.0316
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0149 0.0104
Schistosoma mansoni ap endonuclease 0.002 0.0149 0.0104
Mycobacterium leprae Probable lipase LipE 0.0038 0.0735 0.0728
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0026 0.036 0.0395
Schistosoma mansoni lamin 0.0028 0.0427 0.0383
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0965 1
Echinococcus granulosus Aminotransferase class III 0.0026 0.036 0.0316
Plasmodium falciparum ornithine aminotransferase 0.0026 0.036 0.6189
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0231 0.1404
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0149 0.0149
Trichomonas vaginalis inositol monophosphatase, putative 0.0045 0.0965 0.1524
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0184 0.5505 1
Brugia malayi Inositol-1 0.0045 0.0965 0.419
Echinococcus multilocularis musashi 0.0028 0.0427 0.0383

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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