Detailed information for compound 1554813

Basic information

Technical information
  • TDR Targets ID: 1554813
  • Name: 4-chloro-6-ethylsulfanylpyrimidin-2-amine
  • MW: 189.666 | Formula: C6H8ClN3S
  • H donors: 1 H acceptors: 2 LogP: 2.03 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCSc1cc(Cl)nc(n1)N
  • InChi: 1S/C6H8ClN3S/c1-2-11-5-3-4(7)9-6(8)10-5/h3H,2H2,1H3,(H2,8,9,10)
  • InChiKey: UYKHEKWSJLRGKX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-chloro-6-ethylsulfanyl-pyrimidin-2-amine
  • 4-chloro-6-(ethylthio)-2-pyrimidinamine
  • [4-chloro-6-(ethylthio)pyrimidin-2-yl]amine
  • 6307-37-5
  • MLS000737034
  • NSC41321
  • SMR000393990

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
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0022 0.003 0.5
Mycobacterium tuberculosis Probable aminotransferase 0.0022 0.003 0.003
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0649 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0649 0.0999
Leishmania major hypothetical protein, conserved 0.0036 0.0649 1
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0022 0.003 0.003
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0022 0.003 0.0046
Mycobacterium tuberculosis Conserved protein 0.0036 0.0649 0.0649
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0649 1
Echinococcus multilocularis geminin 0.0167 0.649 1
Toxoplasma gondii ABC1 family protein 0.0036 0.0649 1
Mycobacterium ulcerans L-lysine aminotransferase 0.0245 1 1
Echinococcus granulosus Aminotransferase class III 0.0022 0.003 0.0046
Loa Loa (eye worm) hypothetical protein 0.0036 0.0649 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0 0.5
Echinococcus granulosus geminin 0.0167 0.649 1
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0649 0.0649
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0649 0.0999
Schistosoma mansoni hypothetical protein 0.0167 0.649 1
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.003 0.003
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0649 0.0649
Onchocerca volvulus 0.0036 0.0649 0.5
Trichomonas vaginalis esterase, putative 0.0036 0.0649 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0649 1
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0649 0.0649
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0649 1
Mycobacterium ulcerans hypothetical protein 0.0022 0.003 0.003
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0649 1
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0649 0.0649
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0649 0.0999
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0649 1
Plasmodium falciparum ornithine aminotransferase 0.0022 0.003 0.5
Schistosoma mansoni hypothetical protein 0.0167 0.649 1
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0022 0.003 0.003
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0649 0.0649
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.003 0.0046
Onchocerca volvulus 0.0036 0.0649 0.5
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0022 0.003 0.003
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0022 0.003 0.003
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0022 0.003 0.003
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0649 1
Echinococcus multilocularis ornithine aminotransferase 0.0022 0.003 0.0046
Giardia lamblia DINP protein human, muc B family 0.0021 0 0.5
Brugia malayi beta-lactamase 0.0036 0.0649 0.0649
Brugia malayi beta-lactamase family protein 0.0036 0.0649 0.0649
Mycobacterium ulcerans beta-lactamase 0.0036 0.0649 0.0649
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0022 0.003 0.0457
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0649 1
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0022 0.003 0.003
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0649 0.0649
Loa Loa (eye worm) hypothetical protein 0.0036 0.0649 1
Loa Loa (eye worm) beta-lactamase 0.0036 0.0649 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0649 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.0649 0.0649
Mycobacterium tuberculosis Conserved protein 0.0036 0.0649 0.0649
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0245 1 1
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0022 0.003 0.003
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0022 0.003 0.003
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0649 0.0649
Loa Loa (eye worm) hypothetical protein 0.0036 0.0649 1
Onchocerca volvulus 0.0036 0.0649 0.5
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0649 0.0649
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.9241 0.9241
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0022 0.003 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0649 0.0999
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0649 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0649 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0649 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0649 0.0649
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0649 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0649 1
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0649 0.0649
Echinococcus granulosus ornithine aminotransferase 0.0022 0.003 0.0046
Loa Loa (eye worm) hypothetical protein 0.0036 0.0649 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.0649 0.0649
Mycobacterium ulcerans acetylornithine aminotransferase 0.0022 0.003 0.003
Echinococcus multilocularis Aminotransferase class III 0.0022 0.003 0.0046
Mycobacterium ulcerans lipase LipD 0.0036 0.0649 0.0649
Brugia malayi beta-lactamase family protein 0.0036 0.0649 0.0649

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] 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
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.

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