Detailed information for compound 1646645

Basic information

Technical information
  • TDR Targets ID: 1646645
  • Name: (4-amino-6-dimethylamino-1,3,5-triazin-2-yl)m ethanethiol
  • MW: 185.25 | Formula: C6H11N5S
  • H donors: 1 H acceptors: 3 LogP: 0.21 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: SCc1nc(N)nc(n1)N(C)C
  • InChi: 1S/C6H11N5S/c1-11(2)6-9-4(3-12)8-5(7)10-6/h12H,3H2,1-2H3,(H2,7,8,9,10)
  • InChiKey: NMNFODOEPVKFAU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4-amino-6-dimethylamino-s-triazin-2-yl)methanethiol
  • NCI60_031298
  • NSC686792

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
Schistosoma mansoni tar DNA-binding protein 0.0065 0.049 0.287
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0455 1
Echinococcus granulosus tar DNA binding protein 0.0065 0.049 0.2777
Toxoplasma gondii histone deacetylase HDAC3 0.0062 0.0455 0.1606
Schistosoma mansoni tar DNA-binding protein 0.0065 0.049 0.287
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.0175 0.0911
Schistosoma mansoni hypothetical protein 0.0175 0.1707 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0187 0.0537
Echinococcus granulosus p2X purinoceptor 4 0.007 0.0542 0.3086
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0187 0.098
Echinococcus granulosus histone deacetylase 1 0.0062 0.0455 0.257
Toxoplasma gondii histone deacetylase HDAC2 0.0062 0.0455 0.1606
Brugia malayi Bromodomain containing protein 0.004 0.0203 0.0215
Echinococcus multilocularis histone deacetylase 1 0.0062 0.0455 0.257
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0455 1
Plasmodium falciparum histone deacetylase 1 0.0062 0.0455 0.1606
Echinococcus multilocularis geminin 0.0175 0.1707 1
Schistosoma mansoni tar DNA-binding protein 0.0065 0.049 0.287
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0448 0.2529
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0187 0.0537
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.0175 0.0911
Loa Loa (eye worm) hypothetical protein 0.0042 0.0231 0.4014
Schistosoma mansoni hypothetical protein 0.0175 0.1707 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0187 0.0537
Schistosoma mansoni P2X receptor subunit 0.007 0.0542 0.3175
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0455 1
Trypanosoma brucei histone deacetylase 1 0.0062 0.0455 0.1606
Schistosoma mansoni P2X receptor subunit 0.007 0.0542 0.3175
Leishmania major histone deacetylase, putative 0.0062 0.0455 0.1606
Schistosoma mansoni P2X receptor subunit 0.007 0.0542 0.3175
Echinococcus multilocularis p2X purinoceptor 4 0.007 0.0542 0.3086
Schistosoma mansoni histone deacetylase 0.0062 0.0455 0.2666
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0143 0.5
Loa Loa (eye worm) RNA binding protein 0.0065 0.049 0.8527
Leishmania major histone deacetylase, putative 0.0062 0.0455 0.1606
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0187 0.0537
Brugia malayi Bromodomain containing protein 0.0077 0.0624 0.0803
Brugia malayi TAR-binding protein 0.0065 0.049 0.0616
Schistosoma mansoni bromodomain containing protein 0.0065 0.0489 0.2866
Plasmodium vivax telomerase reverse transcriptase, putative 0.0252 0.2559 1
Schistosoma mansoni histone deacetylase 0.0062 0.0455 0.2666
Schistosoma mansoni tar DNA-binding protein 0.0065 0.049 0.287
Plasmodium vivax histone deacetylase 1, putative 0.0062 0.0455 0.1606
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0187 0.0537
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0187 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0052 0.0913
Entamoeba histolytica histone deacetylase, putative 0.0062 0.0455 1
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0455 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.0455 0.1606
Loa Loa (eye worm) histone deacetylase 3 0.0062 0.0455 0.7919
Brugia malayi histone deacetylase 1 (HD1) 0.0062 0.0455 0.0567
Loa Loa (eye worm) hypothetical protein 0.0073 0.0575 1
Brugia malayi Histone deacetylase 1 0.0062 0.0455 0.0567
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.049 0.8527
Echinococcus multilocularis p2X purinoceptor 4 0.007 0.0542 0.3086
Echinococcus multilocularis histone deacetylase 3 0.0062 0.0455 0.257
Schistosoma mansoni inositol monophosphatase 0.0038 0.0187 0.1095
Brugia malayi Telomerase reverse transcriptase 0.067 0.7204 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0203 0.3541
Leishmania major telomerase reverse transcriptase, putative 0.0252 0.2559 1
Echinococcus multilocularis p2X purinoceptor 4 0.007 0.0542 0.3086
Giardia lamblia Telomerase catalytic subunit 0.0252 0.2559 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0252 0.2559 1
Trypanosoma brucei telomerase reverse transcriptase 0.0252 0.2559 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.0252 0.2559 1
Plasmodium falciparum telomerase reverse transcriptase 0.0252 0.2559 1
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.049 0.0616
Brugia malayi hypothetical protein 0.0026 0.0052 0.0005
Loa Loa (eye worm) TAR-binding protein 0.0065 0.049 0.8527
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.0455 1
Trypanosoma cruzi histone deacetylase 1, putative 0.0062 0.0455 0.1606
Echinococcus granulosus geminin 0.0175 0.1707 1
Echinococcus granulosus p2X purinoceptor 4 0.007 0.0542 0.3086
Echinococcus granulosus histone deacetylase 3 0.0062 0.0455 0.257
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0034 0.0143 0.5
Brugia malayi histone deacetylase 3 (HD3) 0.0062 0.0455 0.0567
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0455 1
Schistosoma mansoni P2X receptor subunit 0.007 0.0542 0.3175
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0448 0.2529
Trichomonas vaginalis histone deacetylase, putative 0.0062 0.0455 1
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0187 0.098
Schistosoma mansoni inositol monophosphatase 0.0038 0.0187 0.1095
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.0455 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0253 0.4395
Echinococcus granulosus p2X purinoceptor 4 0.007 0.0542 0.3086
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0062 0.0455 1
Brugia malayi Inositol-1 0.0038 0.0187 0.0193
Echinococcus multilocularis tar DNA binding protein 0.0065 0.049 0.2777
Loa Loa (eye worm) hypothetical protein 0.0062 0.0455 0.7919
Loa Loa (eye worm) inositol-1 0.0038 0.0187 0.3255
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.0022 0.0128
Schistosoma mansoni tar DNA-binding protein 0.0065 0.049 0.287
Loa Loa (eye worm) histone deacetylase 1 0.0062 0.0455 0.7919
Toxoplasma gondii RNA-directed DNA polymerase 0.0252 0.2559 1
Brugia malayi RNA binding protein 0.0065 0.049 0.0616
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0187 0.5

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.632 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 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 DU-145 Prostate 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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.