Detailed information for compound 1269156

Basic information

Technical information
  • TDR Targets ID: 1269156
  • Name: (6,7-Dihydro-5H-cyclopenta[d][1,2,4]triazolo[ 1,5-a]pyrimidin-8-yl)-p-tolyl-amine
  • MW: 265.313 | Formula: C15H15N5
  • H donors: 1 H acceptors: 3 LogP: 3.02 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)Nc1c2CCCc2nc2n1ncn2
  • InChi: 1S/C15H15N5/c1-10-5-7-11(8-6-10)18-14-12-3-2-4-13(12)19-15-16-9-17-20(14)15/h5-9,18H,2-4H2,1H3
  • InChiKey: NDQSNPBQXRUCFE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS000033766
  • SMR000007674
  • ZINC01326194
  • ASN 07100996

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens CREB binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129174 All targets in OG5_129174
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04498 E1A/CREB-binding protein, putative Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAZ zinc finger family protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum Protein cbp-1, putative Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum IPR011071,Polysaccharide lyase family 8-like, C-terminal,domain-containing Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni CREB-binding protein 2 Get druggable targets OG5_129174 All targets in OG5_129174
Echinococcus granulosus CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Loa Loa (eye worm) CBP-B Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis CREB binding protein Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma japonicum CREB-binding protein, putative Get druggable targets OG5_129174 All targets in OG5_129174
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129174 All targets in OG5_129174
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
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2285 0.2705
Brugia malayi TAR-binding protein 0.0076 0.2285 0.2285
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0089 0.2843 0.4865
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0035 0.0398 0.1032
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0035 0.0398 0.0351
Brugia malayi celfurPC protein 0.0118 0.4151 0.4151
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0089 0.2843 1
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.0122 0.4351 0.528
Schistosoma mansoni furin-1 (S08 family) 0.0064 0.1706 0.1982
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0035 0.0398 0.1032
Brugia malayi TAZ zinc finger family protein 0.0122 0.4351 0.4351
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2285 0.2285
Schistosoma mansoni hypothetical protein 0.0207 0.8136 1
Echinococcus granulosus CREB binding protein 0.0075 0.224 0.3666
Loa Loa (eye worm) proprotein convertase 2 0.0035 0.0398 0.0406
Echinococcus multilocularis neuroendocrine convertase 2 0.0092 0.2979 0.6877
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0 0.5
Brugia malayi neuroendocrine convertase 1 precursor 0.0092 0.2979 0.2979
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2285 0.5029
Loa Loa (eye worm) CBP-B 0.0085 0.2668 0.2727
Echinococcus granulosus CREB binding protein 0.0122 0.4351 0.7865
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0089 0.2843 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.2285 0.2335
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0035 0.0398 0.1032
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2285 0.2705
Brugia malayi endoprotease bli-4 precursor 0.0146 0.5424 0.5424
Leishmania major hypothetical protein, conserved 0.0026 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0243 0.9786 0.9786
Echinococcus multilocularis CREB binding protein 0.0084 0.262 0.5921
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2285 0.2335
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0035 0.0398 0.1032
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0089 0.2843 0.6515
Loa Loa (eye worm) hypothetical protein 0.0243 0.976 0.9974
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2285 0.2335
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2285 0.2705
Brugia malayi Nuclear hormone receptor-like 1 0.0243 0.9786 0.9786
Echinococcus granulosus furin 0.0146 0.5424 1
Trypanosoma brucei RNA helicase, putative 0.0207 0.8136 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0 0.5
Echinococcus granulosus neuroendocrine convertase 2 0.0092 0.2979 0.5135
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0243 0.9786 1
Giardia lamblia High cysteine membrane protein Group 2 0.0054 0.1289 1
Echinococcus multilocularis 0.0118 0.4151 1
Brugia malayi proprotein convertase 2 0.0092 0.2979 0.2979
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2285 0.2705
Loa Loa (eye worm) hypothetical protein 0.0057 0.1425 0.1456
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0035 0.0398 0.1032
Loa Loa (eye worm) endoprotease bli-4 0.0146 0.5424 0.5543
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0 0.5
Trichomonas vaginalis Clan SB, family S8, subtilisin-like serine peptidase 0.0035 0.0398 0.1032
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2285 0.2705
Echinococcus granulosus tar DNA binding protein 0.0076 0.2285 0.3755
Loa Loa (eye worm) hypothetical protein 0.0057 0.1429 0.146
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0146 0.5424 0.6619
Loa Loa (eye worm) hypothetical protein 0.0146 0.5424 0.5543
Schistosoma mansoni CREB-binding protein 2 0.0122 0.4351 0.528
Brugia malayi RNA binding protein 0.0076 0.2285 0.2285

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) 167.158 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay to identify activators of Transthyretin (TTR) transcription. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 167.158 uM PubChem BioAssay. Counterscreen for activators of Transthyretin (TTR) transcription: Luminescence-based cell-based high throughput dose response assay to identify inhibitors of Transthyretin (TTR) transcription in HuH7 hepatoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) = 12.5893 um PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Cell signaling CRE-BLA (Fsk stim) - HEK293 CREB Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 662 ] ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) = 25.1189 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
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) 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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