Detailed information for compound 451382

Basic information

Technical information
  • TDR Targets ID: 451382
  • Name: 2-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-y l)acetamide
  • MW: 302.395 | Formula: C15H18N4OS
  • H donors: 1 H acceptors: 2 LogP: 2.12 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nccs1)CN1CCN(CC1)c1ccccc1
  • InChi: 1S/C15H18N4OS/c20-14(17-15-16-6-11-21-15)12-18-7-9-19(10-8-18)13-4-2-1-3-5-13/h1-6,11H,7-10,12H2,(H,16,17,20)
  • InChiKey: DBZWXIACRHCIQH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(4-phenylpiperazin-1-yl)-N-thiazol-2-yl-acetamide
  • 2-(4-phenyl-1-piperazinyl)-N-(2-thiazolyl)acetamide
  • 2-(4-phenylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)ethanamide
  • 2-(4-phenylpiperazino)-N-thiazol-2-yl-acetamide
  • STK232425
  • 2-(4-phenyl-1-piperazinyl)-N-1,3-thiazol-2-ylacetamide
  • MLS000066680
  • SMR000082037

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Loa Loa (eye worm) hypothetical protein 0.0077 0.1313 0.1313
Plasmodium vivax subtilisin-like protease 2, putative 0.0051 0.0495 1
Brugia malayi Subtilase family protein 0.0051 0.0495 0.0495
Mycobacterium ulcerans proline rich membrane-anchored mycosin MycP5 0.0051 0.0495 0.5
Schistosoma mansoni site-1 peptidase (S08 family) 0.0345 1 1
Echinococcus multilocularis proprotein convertase subtilisin:kexin type 5 0.0051 0.0495 0.0495
Toxoplasma gondii subtilisin SUB12 0.0051 0.0495 1
Toxoplasma gondii subtilisin SUB4 0.0051 0.0495 1
Echinococcus granulosus proprotein convertase subtilisin:kexin type 5 0.0051 0.0495 0.0495
Schistosoma mansoni site-1 peptidase (S08 family) 0.0051 0.0495 0.0495
Toxoplasma gondii subtilisin SUB11 0.0051 0.0495 1
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0051 0.0495 0.5
Leishmania major subtilisin-like serine peptidase 0.0051 0.0495 0.5
Toxoplasma gondii subtilisin SUB10 0.0051 0.0495 1
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0051 0.0495 0.0495
Echinococcus granulosus sodium and chloride dependent glycine 0.0077 0.1313 0.1313
Onchocerca volvulus 0.0345 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0495 0.0495
Plasmodium falciparum subtilisin-like protease 2 0.0051 0.0495 0.5
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0051 0.0495 0.0495
Mycobacterium ulcerans membrane-anchored mycosin MycP3 0.0051 0.0495 0.5
Loa Loa (eye worm) proprotein convertase 2 0.0051 0.0495 0.0495
Echinococcus granulosus furin 0.0051 0.0495 0.0495
Toxoplasma gondii subtilisin SUB7 0.0051 0.0495 1
Echinococcus granulosus Furin 1 0.0051 0.0495 0.0495
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP3 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-3) 0.0051 0.0495 0.5
Brugia malayi neuroendocrine convertase 1 precursor 0.0051 0.0495 0.0495
Loa Loa (eye worm) endoprotease bli-4 0.0051 0.0495 0.0495
Mycobacterium leprae PROBABLE PROLINE RICH MEMBRANE-ANCHORED MYCOSIN MYCP5 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-5) 0.0051 0.0495 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0077 0.1313 0.1313
Mycobacterium leprae PROBABLE MEMBRANE-ANCHORED MYCOSIN MYCP3 (SERINE PROTEASE) (SUBTILISIN-LIKE PROTEASE) (SUBTILASE-LIKE) (MYCOSIN-3) 0.0051 0.0495 0.5
Plasmodium vivax subtilisin-like serine protease, putative 0.0051 0.0495 1
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0051 0.0495 0.0495
Brugia malayi celfurPC protein 0.0051 0.0495 0.0495
Brugia malayi Pre-SET motif family protein 0.0251 0.6971 0.6971
Echinococcus multilocularis sodium and chloride dependent glycine 0.0077 0.1313 0.1313
Mycobacterium tuberculosis Probable membrane-anchored mycosin MycP4 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-4) 0.0051 0.0495 0.5
Trypanosoma cruzi serine peptidase, clan SB, family S8-like protein 0.0051 0.0495 0.5
Schistosoma mansoni sodium/chloride dependent transporter 0.0077 0.1313 0.1313
Plasmodium falciparum subtilisin-like protease 1 0.0051 0.0495 0.5
Trypanosoma brucei subtilisin peptidase 0.0051 0.0495 0.5
Mycobacterium ulcerans membrane-anchored serine protease (mycosin), MycP4 0.0051 0.0495 0.5
Echinococcus multilocularis neuroendocrine convertase 2 0.0051 0.0495 0.0495
Onchocerca volvulus 0.0286 0.8095 0.8095
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0051 0.0495 0.0495
Loa Loa (eye worm) hypothetical protein 0.0345 1 1
Trichomonas vaginalis set domain proteins, putative 0.0286 0.8095 1
Echinococcus granulosus neuroendocrine convertase 2 0.0051 0.0495 0.0495
Trypanosoma cruzi subtilisin peptidase 0.0051 0.0495 0.5
Brugia malayi endoprotease bli-4 precursor 0.0051 0.0495 0.0495
Toxoplasma gondii subtilisin SUB6 0.0051 0.0495 1
Loa Loa (eye worm) subtilase 0.0051 0.0495 0.0495
Echinococcus granulosus membrane bound transcription factor site 1 0.0345 1 1
Toxoplasma gondii subtilisin SUB9 0.0051 0.0495 1
Toxoplasma gondii subtilisin SUB1 0.0051 0.0495 1
Echinococcus multilocularis membrane bound transcription factor site 1 0.0345 1 1
Toxoplasma gondii subtilisin SUB2 0.0051 0.0495 1
Toxoplasma gondii subtilisin SUB8 0.0051 0.0495 1
Trypanosoma cruzi subtilisin-like serine peptidase, putative 0.0051 0.0495 0.5
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0051 0.0495 0.0495
Loa Loa (eye worm) hypothetical protein 0.0077 0.1313 0.1313
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0077 0.1313 0.1313
Trypanosoma brucei serine peptidase, clan SB, family S8-like protein 0.0051 0.0495 0.5
Toxoplasma gondii subtilisin SUB5 0.0051 0.0495 1
Schistosoma mansoni furin-1 (S08 family) 0.0051 0.0495 0.0495
Echinococcus multilocularis 0.0051 0.0495 0.0495
Brugia malayi proprotein convertase 2 0.0051 0.0495 0.0495
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.6971 0.6971
Schistosoma mansoni subfamily S8B non-peptidase homologue (S08 family) 0.0051 0.0495 0.0495
Echinococcus multilocularis Furin 1 0.0051 0.0495 0.0495
Brugia malayi Hypothetical subtilase-type proteinase F21H12.6 in chromosome II 0.0051 0.0495 0.0495
Plasmodium vivax subtilisin-like protease 1 0.0051 0.0495 1
Mycobacterium leprae Possible secreted protease 0.0051 0.0495 0.5
Echinococcus granulosus sodium and chloride dependent glycine 0.0077 0.1313 0.1313
Plasmodium falciparum subtilisin-like protease 3 0.0051 0.0495 0.5
Mycobacterium tuberculosis Probable proline rich membrane-anchored mycosin MycP5 (serine protease) (subtilisin-like protease) (subtilase-like) (mycosin-5) 0.0051 0.0495 0.5
Mycobacterium tuberculosis Probable alanine and proline rich membrane-anchored mycosin MycP2 (serine protease) (subtilisin-like protease) (subtilase-like) 0.0051 0.0495 0.5
Echinococcus multilocularis sodium and chloride dependent glycine 0.0077 0.1313 0.1313
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0077 0.1313 0.1313

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 96.9 uM Inhibition of rabbit muscle GPa ChEMBL. 17719791
IC50 (binding) = 96.9 uM Binding affinity to rabbit muscular GPa by NMR binding assay ChEMBL. 22229710
Potency (functional) 2.6169 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) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 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

1 literature reference was collected for this gene.

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