Detailed information for compound 1627683

Basic information

Technical information
  • TDR Targets ID: 1627683
  • Name: 5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphen yl)-6-phenyl-2-sulfanylidene-5,6-dihydro-1H-p yrimidine-4-carboxamide
  • MW: 470.609 | Formula: C26H22N4OS2
  • H donors: 2 H acceptors: 2 LogP: 5.42 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C1N=C(C(=O)Nc2c(C)cccc2C)C(C(N1)c1ccccc1)c1nc2c(s1)cccc2
  • InChi: 1S/C26H22N4OS2/c1-15-9-8-10-16(2)21(15)28-24(31)23-20(25-27-18-13-6-7-14-19(18)33-25)22(29-26(32)30-23)17-11-4-3-5-12-17/h3-14,20,22H,1-2H3,(H,28,31)(H,29,32)
  • InChiKey: SPWXIQKUXMNZHY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(1,3-benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-6-phenyl-2-thioxo-5,6-dihydro-1H-pyrimidine-4-carboxamide
  • AIDS-131295
  • AIDS131295
  • NSC623039
  • NCI60_006835
  • 5-(1,3-Benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-6-phenyl-2-thioxo-1,2,5,6-tetrahydro-4-pyrimidinecarboxamide

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
Onchocerca volvulus 0.0067 0.007 0.1596
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.007 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0067 0.007 0.0114
Leishmania major cathepsin L-like protease 0.0067 0.007 0.5
Leishmania major cathepsin L-like protease 0.0067 0.007 0.5
Onchocerca volvulus 0.0067 0.007 0.1596
Onchocerca volvulus Cathepsin L homolog 0.0067 0.007 0.1596
Onchocerca volvulus 0.0183 0.044 1
Leishmania major cathepsin L-like protease 0.0067 0.007 0.5
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.3189 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0067 0.007 0.0114
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0067 0.007 0.0114
Leishmania major cathepsin L-like protease 0.0067 0.007 0.5
Echinococcus granulosus geminin 0.0191 0.0465 1
Schistosoma mansoni cathepsin F (C01 family) 0.0067 0.007 0.007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.007 0.5
Brugia malayi Cathepsin L-like precursor 0.0067 0.007 0.1596
Onchocerca volvulus Cathepsin F homolog 0.0067 0.007 0.1596
Toxoplasma gondii preprocathepsin c precursor, putative 0.3189 1 1
Brugia malayi Pip kinase protein 2 0.0183 0.044 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.007 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0067 0.007 1
Loa Loa (eye worm) cysteine protease 0.0067 0.007 0.1596
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.007 1
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.007 1
Leishmania major cathepsin L-like protease 0.0067 0.007 0.5
Onchocerca volvulus 0.0067 0.007 0.1596
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0067 0.007 0.0114
Leishmania major cathepsin L-like protease 0.0067 0.007 0.5
Loa Loa (eye worm) pip kinase 2 0.0183 0.044 1
Entamoeba histolytica cysteine proteinase, putative 0.0067 0.007 1
Loa Loa (eye worm) fibroinase 0.0067 0.007 0.1596
Entamoeba histolytica cysteine protease, putative 0.0067 0.007 1
Schistosoma mansoni cathepsin F (C01 family) 0.0067 0.007 0.007
Echinococcus granulosus cathepsin l cysteine peptidase 0.0067 0.007 0.1511
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0183 0.044 0.044
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Toxoplasma gondii cathepsin CPC2 0.1218 0.373 0.3686
Brugia malayi Cathepsin L-like precursor 0.0067 0.007 0.1596
Loa Loa (eye worm) hypothetical protein 0.0067 0.007 0.1596
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Leishmania major cysteine peptidase A (CPA) 0.0067 0.007 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.007 0.5
Brugia malayi Cathepsin L-like precursor 0.0067 0.007 0.1596
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.1218 0.373 0.3686
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0067 0.007 0.0114
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.007 0.5
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0067 0.007 0.1596
Loa Loa (eye worm) ctsf protein 0.0067 0.007 0.1596
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.007 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0067 0.007 0.1596
Trypanosoma cruzi cruzipain precursor, putative 0.0067 0.007 1
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.3189 1 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0067 0.007 0.0114
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0067 0.007 0.0114
Echinococcus granulosus cathepsin l1 0.0067 0.007 0.1511
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Schistosoma mansoni hypothetical protein 0.0191 0.0465 0.0465
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.007 0.5
Echinococcus multilocularis geminin 0.0191 0.0465 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0067 0.007 0.0114
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.1218 0.373 0.3686
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.007 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Leishmania major cathepsin L-like protease 0.0067 0.007 0.5
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.3189 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.007 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.007 0.5
Brugia malayi Cathepsin L-like precursor 0.0067 0.007 0.1596
Toxoplasma gondii cathepsin CPC1 0.3189 1 1
Onchocerca volvulus 0.0067 0.007 0.1596
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.007 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0067 0.007 0.0114
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0183 0.044 0.9373
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.3189 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0067 0.007 1
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.3189 1 1
Onchocerca volvulus 0.0067 0.007 0.1596
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.1984 0.6166 1
Brugia malayi Papain family cysteine protease containing protein 0.0067 0.007 0.1596
Echinococcus granulosus cathepsin L cysteine proteinase 0.0067 0.007 0.1511
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0067 0.007 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0067 0.007 0.0114
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Brugia malayi Cathepsin L-like precursor 0.0067 0.007 0.1596
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0183 0.044 0.9468
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0183 0.044 0.044
Onchocerca volvulus Cathepsin L homolog 0.0067 0.007 0.1596
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0067 0.007 0.0114
Onchocerca volvulus 0.0067 0.007 0.1596
Schistosoma mansoni hypothetical protein 0.0191 0.0465 0.0465
Onchocerca volvulus 0.0067 0.007 0.1596
Leishmania major cathepsin L-like protease 0.0067 0.007 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0067 0.007 0.0114
Brugia malayi Cathepsin L-like precursor 0.0067 0.007 0.1596
Loa Loa (eye worm) hypothetical protein 0.0183 0.044 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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