Detailed information for compound 1593499

Basic information

Technical information
  • TDR Targets ID: 1593499
  • Name: 6-amino-5-(4-chlorophenyl)-N-(3,4-dichlorophe nyl)-2-sulfanylidene-3H-pyrimidine-4-carboxam ide
  • MW: 425.719 | Formula: C17H11Cl3N4OS
  • H donors: 2 H acceptors: 3 LogP: 5.02 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Sc1nc(N)c(c(n1)C(=O)Nc1ccc(c(c1)Cl)Cl)c1ccc(cc1)Cl
  • InChi: 1S/C17H11Cl3N4OS/c18-9-3-1-8(2-4-9)13-14(23-17(26)24-15(13)21)16(25)22-10-5-6-11(19)12(20)7-10/h1-7H,(H,22,25)(H3,21,23,24,26)
  • InChiKey: LTTYZUGVBVLZBL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-amino-5-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-2-thioxo-3H-pyrimidine-4-carboxamide
  • 6-Amino-5-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-2-mercapto-4-pyrimidinecarboxamide
  • AIDS-133740
  • AIDS133740
  • NSC630294
  • NCI60_009824

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 DNA polymerase alpha catalytic subunit 0.0109 0.1781 0.1263
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.01 0.1492 0.1349
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 0.8267 1
Trichomonas vaginalis thymidylate kinase, putative 0.0072 0.0593 0.0731
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0109 0.1781 0.2155
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.01 0.1492 0.0956
Loa Loa (eye worm) thymidylate kinase 0.0072 0.0593 0.0731
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.014 0.2799 0.331
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.031 0.8267 1
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0109 0.1781 0.2384
Loa Loa (eye worm) hypothetical protein 0.0161 0.3475 0.4739
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.01 0.1492 0.0956
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.01 0.1492 0.1805
Toxoplasma gondii DNA polymerase 0.0279 0.7258 1
Leishmania major mitochondrial DNA polymerase beta 0.031 0.8267 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.031 0.8267 0.8157
Chlamydia trachomatis thymidylate kinase 0.0072 0.0593 0.5
Trichomonas vaginalis thymidylate kinase, putative 0.0072 0.0593 0.0731
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.01 0.1492 0.1981
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.0279 0.7258 1
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.0279 0.7258 0.7085
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.0279 0.7258 1
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.014 0.2799 0.2345
Giardia lamblia DNA polymerase epsilon, catalytic subunit 0.01 0.1492 0.1349
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.0279 0.7258 1
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0161 0.3475 0.4324
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.0279 0.7258 1
Toxoplasma gondii DNA polymerase family B protein 0.01 0.1492 0.1349
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.013 0.2458 0.2798
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.01 0.1492 0.1349
Trypanosoma cruzi thymidylate kinase, putative 0.0072 0.0593 0.0717
Onchocerca volvulus DNA polymerase homolog 0.01 0.1492 0.1349
Plasmodium falciparum DNA polymerase epsilon catalytic subunit A, putative 0.0055 0.0068 0.0087
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.0279 0.7258 0.7085
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.01 0.1492 0.1981
Onchocerca volvulus DNA polymerase epsilon catalytic subunit A homolog 0.01 0.1492 0.1349
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.0279 0.7258 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.3012 0.3643
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.0279 0.7258 1
Entamoeba histolytica Thymidylate kinase, putative 0.0072 0.0593 0.0812
Wolbachia endosymbiont of Brugia malayi thymidylate kinase 0.0072 0.0593 0.5
Brugia malayi DNA polymerase delta catalytic subunit 0.0279 0.7258 1
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.01 0.1492 0.1349
Mycobacterium ulcerans hypothetical protein 0.0164 0.3545 1
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.01 0.1492 0.1349
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.0279 0.7258 1
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.01 0.1492 0.0956
Trypanosoma brucei RNA helicase, putative 0.0364 1 1
Trichomonas vaginalis DNA polymerase II, putative 0.0109 0.1781 0.2384
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0109 0.1781 0.1549
Plasmodium falciparum thymidylate kinase 0.0072 0.0593 0.0812
Brugia malayi DNA polymerase family B containing protein 0.01 0.1492 0.1349
Mycobacterium tuberculosis Conserved hypothetical protein 0.0164 0.3545 1
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0224 0.5481 0.663
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0147 0.3012 0.2571
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.01 0.1492 0.1349
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0279 0.7258 0.878
Treponema pallidum thymidylate kinase (tmk) 0.0072 0.0593 0.5
Giardia lamblia DNA polymerase delta, catalytic subunit 0.0279 0.7258 1
Giardia lamblia DNA polymerase alpha subunit A 0.0085 0.1022 0.0643
Mycobacterium leprae probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK) 0.0072 0.0593 0.5
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.01 0.1492 0.1805
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.01 0.1492 0.1172
Trypanosoma cruzi thymidylate kinase, putative 0.0072 0.0593 0.0717
Plasmodium vivax DNA polymerase alpha, putative 0.013 0.2458 0.2798
Leishmania major DNA polymerase delta catalytic subunit, putative 0.0279 0.7258 0.8686
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0147 0.3012 0.3152
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.0279 0.7258 1
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.01 0.1492 0.1349
Brugia malayi DNA polymerase alpha catalytic subunit 0.013 0.2458 0.2798
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.014 0.2799 0.331
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.01 0.1492 0.0956
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.01 0.1492 0.1349

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.031 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 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 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
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M 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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