Detailed information for compound 1407505

Basic information

Technical information
  • TDR Targets ID: 1407505
  • Name: N-(4,5-dihydro-1,3-thiazol-2-yl)-7-methyl-[1, 2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
  • MW: 262.291 | Formula: C10H10N6OS
  • H donors: 1 H acceptors: 4 LogP: 0.52 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nn2c(n1)nccc2C)NC1=NCCS1
  • InChi: 1S/C10H10N6OS/c1-6-2-3-11-9-13-7(15-16(6)9)8(17)14-10-12-4-5-18-10/h2-3H,4-5H2,1H3,(H,12,14,17)
  • InChiKey: ORNPFKPINMNCGQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4,5-dihydrothiazol-2-yl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
  • MLS000054852
  • SMR000066789
  • ZINC02648582

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
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0092 0.1136 0.0606
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Schistosoma mansoni cathepsin F (C01 family) 0.012 0.2085 0.2088
Entamoeba histolytica cysteine proteinase, putative 0.0179 0.4119 1
Schistosoma mansoni calpain (C02 family) 0.0124 0.2223 0.2226
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0179 0.4119 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0124 0.2223 0.5396
Trypanosoma cruzi kinesin, putative 0.0087 0.0943 0.2289
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0179 0.4119 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0124 0.2223 0.5396
Schistosoma mansoni calpain-7 (C02 family) 0.0124 0.2223 0.2226
Plasmodium vivax vivapain-1 0.0092 0.1136 0.2757
Onchocerca volvulus 0.0179 0.4119 0.6993
Toxoplasma gondii cathepsin CPL 0.0179 0.4119 0.5
Trypanosoma brucei antigen, putative 0.0124 0.2223 0.4029
Echinococcus multilocularis hypothetical protein 0.0124 0.2223 0.1227
Brugia malayi calpain 7 0.0124 0.2223 0.2403
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0124 0.2223 0.5396
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.035 0.9984 0.9982
Schistosoma mansoni cathepsin F (C01 family) 0.0179 0.4119 0.4126
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Brugia malayi Cathepsin L-like precursor 0.0179 0.4119 0.4453
Loa Loa (eye worm) hypothetical protein 0.0179 0.4119 0.4453
Echinococcus granulosus cathepsin l cysteine peptidase 0.0179 0.4119 0.3366
Entamoeba histolytica cysteine protease, putative 0.0092 0.1136 0.0606
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0092 0.1136 0.0606
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0179 0.4119 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0124 0.2223 0.5396
Entamoeba histolytica cysteine proteinase, putative 0.0092 0.1136 0.0606
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Trypanosoma brucei calpain-like protein, putative 0.0124 0.2223 0.4029
Loa Loa (eye worm) hypothetical protein 0.012 0.2085 0.2254
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0092 0.1136 0.1137
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0124 0.2223 0.5396
Trypanosoma cruzi kinesin, putative 0.0087 0.0943 0.2289
Echinococcus granulosus calpain 5 0.0124 0.2223 0.1227
Echinococcus granulosus calpain 7 C02 family 0.0124 0.2223 0.1227
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0124 0.2223 0.4029
Onchocerca volvulus Cathepsin F homolog 0.0179 0.4119 0.6993
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0179 0.4119 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0124 0.2223 0.5396
Entamoeba histolytica cysteine proteinase, putative 0.0179 0.4119 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Echinococcus multilocularis calpain family protein 1, d 0.0242 0.6274 0.5797
Plasmodium vivax vivapain-3 0.0092 0.1136 0.2757
Echinococcus granulosus calpain A 0.0124 0.2223 0.1227
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Loa Loa (eye worm) hypothetical protein 0.0329 0.9252 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0179 0.4119 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0179 0.4119 1
Brugia malayi Cathepsin L-like precursor 0.0179 0.4119 0.4453
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0179 0.4119 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0179 0.4119 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0179 0.4119 1
Echinococcus multilocularis calpain 0.0124 0.2223 0.1227
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0124 0.2223 0.5396
Loa Loa (eye worm) hypothetical protein 0.012 0.2085 0.2254
Trypanosoma brucei calpain-like protein, putative 0.0124 0.2223 0.4029
Schistosoma mansoni calpain C (C02 family) 0.0124 0.2223 0.2226
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0179 0.4119 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0179 0.4119 1
Entamoeba histolytica cysteine protease, putative 0.0092 0.1136 0.0606
Trypanosoma cruzi cysteine protease, putative 0.0092 0.1136 0.2757
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0092 0.1136 0.1137
Echinococcus granulosus cathepsin L cysteine proteinase 0.0179 0.4119 0.3366
Trypanosoma cruzi cysteine peptidase, putative 0.0092 0.1136 0.2757
Entamoeba histolytica cysteine proteinase 2 0.0092 0.1136 0.0606
Echinococcus multilocularis cathepsin L cysteine protease 0.0179 0.4119 0.3366
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0179 0.4119 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0179 0.4119 1
Entamoeba histolytica cysteine protease, putative 0.0092 0.1136 0.0606
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.035 0.9984 1
Schistosoma mansoni calpain-7 (C02 family) 0.0124 0.2223 0.2226
Loa Loa (eye worm) cysteine protease 0.0179 0.4119 0.4453
Plasmodium vivax unspecified product 0.0092 0.1136 0.2757
Brugia malayi Cathepsin L-like precursor 0.012 0.2085 0.2254
Trypanosoma cruzi cysteine proteinase, putative 0.0092 0.1136 0.2757
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0179 0.4119 0.4453
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0179 0.4119 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Entamoeba histolytica cysteine protease, putative 0.0092 0.1136 0.0606
Loa Loa (eye worm) hypothetical protein 0.0242 0.6274 0.6782
Plasmodium vivax vivapain-2 0.0179 0.4119 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0179 0.4119 1
Brugia malayi calpain 5 0.0087 0.0943 0.1019
Entamoeba histolytica cysteine proteinase, putative 0.0092 0.1136 0.0606
Trypanosoma cruzi cysteine peptidase, putative 0.0179 0.4119 1
Entamoeba histolytica cysteine proteinase, putative 0.0092 0.1136 0.0606
Onchocerca volvulus 0.0205 0.4994 1
Brugia malayi Cathepsin L-like precursor 0.012 0.2085 0.2254
Onchocerca volvulus Cathepsin L homolog 0.0179 0.4119 0.6993
Onchocerca volvulus 0.0179 0.4119 0.6993
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0124 0.2223 0.4029
Loa Loa (eye worm) calpain 5 0.0087 0.0943 0.1019
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0329 0.9252 0.9266
Leishmania major cathepsin L-like protease 0.0179 0.4119 1
Leishmania major cathepsin L-like protease 0.0179 0.4119 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0124 0.2223 0.5396
Trypanosoma cruzi cysteine peptidase, putative 0.0179 0.4119 1
Leishmania major cathepsin L-like protease 0.0179 0.4119 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0092 0.1136 0.1137
Entamoeba histolytica cysteine proteinase, putative 0.0092 0.1136 0.0606
Trypanosoma cruzi cysteine proteinase, putative 0.0092 0.1136 0.2757
Entamoeba histolytica cysteine proteinase, putative 0.012 0.2085 0.3595
Entamoeba histolytica cysteine proteinase 1, putative 0.0092 0.1136 0.0606
Entamoeba histolytica cysteine protease, putative 0.0179 0.4119 1
Brugia malayi Cathepsin L-like precursor 0.0179 0.4119 0.4453
Brugia malayi Papain family cysteine protease containing protein 0.0092 0.1136 0.1227
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0124 0.2223 0.5396
Plasmodium falciparum cysteine proteinase falcipain 3 0.0179 0.4119 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0179 0.4119 1
Schistosoma mansoni Mername-AA248 (C02 family) 0.0124 0.2223 0.2226
Echinococcus multilocularis calpain 5 0.0124 0.2223 0.1227
Loa Loa (eye worm) calpain 0.0124 0.2223 0.2403
Entamoeba histolytica cysteine protease, putative 0.0092 0.1136 0.0606
Brugia malayi Papain family cysteine protease containing protein 0.0092 0.1136 0.1227
Brugia malayi Cathepsin L-like precursor 0.0179 0.4119 0.4453
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0179 0.4119 1
Brugia malayi Cathepsin L-like precursor 0.0179 0.4119 0.4453
Trypanosoma brucei calpain-like protein, putative 0.0124 0.2223 0.4029
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Plasmodium vivax calpain, putative 0.0124 0.2223 0.5396
Echinococcus granulosus cathepsin l1 0.0179 0.4119 0.3366
Leishmania major cathepsin L-like protease 0.0179 0.4119 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0179 0.4119 1
Leishmania major cysteine peptidase A (CPA) 0.0179 0.4119 1
Brugia malayi cathepsin L-like precursor 0.012 0.2085 0.2254
Entamoeba histolytica cysteine protease, putative 0.0092 0.1136 0.0606
Loa Loa (eye worm) ctsf protein 0.0179 0.4119 0.4453
Onchocerca volvulus 0.0179 0.4119 0.6993
Echinococcus multilocularis cysteine protease 0.0179 0.4119 0.3366
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0179 0.4119 1
Leishmania major cathepsin L-like protease 0.0179 0.4119 1
Brugia malayi Cathepsin L-like precursor 0.0179 0.4119 0.4453
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0179 0.4119 0.3366
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0179 0.4119 1
Leishmania major cathepsin L-like protease 0.0179 0.4119 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.035 0.9984 1
Echinococcus multilocularis cysteine protease 0.0179 0.4119 0.3366
Loa Loa (eye worm) hypothetical protein 0.0291 0.7972 0.8617
Onchocerca volvulus 0.0179 0.4119 0.6993
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.012 0.2085 0.3182
Echinococcus granulosus cathepsin l1 0.012 0.2085 0.1071
Echinococcus granulosus calpain 0.0124 0.2223 0.1227
Loa Loa (eye worm) calpain family protein 1 0.0329 0.9252 1
Trypanosoma cruzi cruzipain precursor, putative 0.0179 0.4119 1
Onchocerca volvulus 0.0179 0.4119 0.6993
Entamoeba histolytica cysteine protease, putative 0.0092 0.1136 0.0606
Entamoeba histolytica cysteine protease, putative 0.0092 0.1136 0.0606
Echinococcus multilocularis calpain 7 (C02 family) 0.0124 0.2223 0.1227
Entamoeba histolytica cysteine protease, putative 0.0092 0.1136 0.0606
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0179 0.4119 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Onchocerca volvulus Cathepsin L homolog 0.0179 0.4119 0.6993
Brugia malayi Cathepsin L-like cysteine proteinase 0.012 0.2085 0.2254
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0124 0.2223 0.4029
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0179 0.4119 0.3366
Leishmania major cathepsin L-like protease 0.0179 0.4119 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0124 0.2223 0.5396
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0179 0.4119 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.012 0.2085 0.5061
Trypanosoma brucei calpain-like protein, putative 0.0124 0.2223 0.4029
Loa Loa (eye worm) calpain family protein 1 0.0242 0.6274 0.6782
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0179 0.4119 0.4453
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0179 0.4119 1
Schistosoma mansoni cathepsin F (C01 family) 0.0179 0.4119 0.4126
Brugia malayi calpain family protein 1 0.0329 0.9252 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0179 0.4119 1
Entamoeba histolytica cysteine protease, putative 0.0092 0.1136 0.0606
Onchocerca volvulus 0.0179 0.4119 0.6993
Brugia malayi calpain family protein 1 0.0329 0.9252 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.035 0.9984 0.9982
Loa Loa (eye worm) fibroinase 0.0179 0.4119 0.4453
Entamoeba histolytica cysteine protease, putative 0.0092 0.1136 0.0606
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.012 0.2085 0.3182
Onchocerca volvulus 0.0179 0.4119 0.6993
Leishmania major cathepsin L-like protease 0.0179 0.4119 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0124 0.2223 0.4029
Entamoeba histolytica cysteine protease, putative 0.0092 0.1136 0.0606
Loa Loa (eye worm) hypothetical protein 0.012 0.2085 0.2254
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.4119 1
Echinococcus multilocularis cathepsin L cysteine protease 0.0179 0.4119 0.3366
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0124 0.2223 0.4029
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0092 0.1136 0.2757
Brugia malayi Papain family cysteine protease containing protein 0.0179 0.4119 0.4453
Loa Loa (eye worm) hypothetical protein 0.0205 0.4994 0.5398
Entamoeba histolytica cysteine protease, putative 0.0092 0.1136 0.0606
Plasmodium vivax vivapain-2 0.0179 0.4119 1
Trypanosoma cruzi cysteine peptidase, putative 0.0179 0.4119 1
Trypanosoma cruzi cysteine peptidase, putative 0.0179 0.4119 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 7.3753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.7157 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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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