Detailed information for compound 546525

Basic information

Technical information
  • TDR Targets ID: 546525
  • Name: 6-amino-5-[(4-chlorophenyl)methyl]-1-methyl-p yrimidine-2,4-dione
  • MW: 265.696 | Formula: C12H12ClN3O2
  • H donors: 2 H acceptors: 2 LogP: 1.3 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)Cc1c(=O)[nH]c(=O)n(c1N)C
  • InChi: 1S/C12H12ClN3O2/c1-16-10(14)9(11(17)15-12(16)18)6-7-2-4-8(13)5-3-7/h2-5H,6,14H2,1H3,(H,15,17,18)
  • InChiKey: CTPHAFGMNUKEQS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-amino-5-[(4-chlorophenyl)methyl]-1-methylpyrimidine-2,4-dione
  • 6-azanyl-5-[(4-chlorophenyl)methyl]-1-methyl-pyrimidine-2,4-dione
  • 6-amino-5-(4-chlorobenzyl)-1-methyl-pyrimidine-2,4-quinone
  • NSC681708
  • NCI60_029199
  • 6-Amino-5-(4-chlorobenzyl)-1-methyl-2,4(1H,3H)-pyrimidinedione
  • AIDS-148733
  • AIDS148733

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
Loa Loa (eye worm) hypothetical protein 0.0326 0.4268 1
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Echinococcus multilocularis muscleblind protein 0.0159 0.1702 0.1616
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Brugia malayi MH2 domain containing protein 0.0117 0.1071 0.2172
Loa Loa (eye worm) hypothetical protein 0.0233 0.2834 0.6557
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0526 0.0999
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0332 0.435 1
Plasmodium falciparum GAF domain-related protein, putative 0.0113 0.0996 0.5
Toxoplasma gondii hypothetical protein 0.0113 0.0996 0.2986
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Brugia malayi 3'5'-cyclic nucleotide phosphodiesterase family protein 0.0243 0.299 0.6062
Mycobacterium ulcerans two component sensor histidine kinase DevS 0.0151 0.1584 1
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0293 0.3762 0.8616
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0156 0.1661 0.367
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0293 0.3762 0.8616
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0293 0.3762 0.8616
Echinococcus granulosus dual 3'5' cyclic AMP and GMP phosphodiesterase 0.0293 0.3762 0.3698
Brugia malayi Muscleblind-like protein 0.0159 0.1702 0.345
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Trichomonas vaginalis conserved hypothetical protein 0.0332 0.435 1
Trichomonas vaginalis cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative 0.0181 0.2039 0.4561
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.1071 0.2326
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0293 0.3762 0.8616
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0293 0.3762 0.8616
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0293 0.3762 1
Brugia malayi follicle stimulating hormone receptor 0.0248 0.3077 0.6238
Echinococcus granulosus muscleblind protein 0.0159 0.1702 0.1616
Toxoplasma gondii GAF domain-containing protein 0.0113 0.0996 0.2986
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0293 0.3762 1
Schistosoma mansoni microtubule-associated protein tau 0.0701 1 1
Brugia malayi hypothetical protein 0.0233 0.2834 0.5745
Echinococcus multilocularis neuropeptide s receptor 0.0493 0.6816 0.6783
Toxoplasma gondii hypothetical protein 0.0113 0.0996 0.2986
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0234 0.2849 1
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0181 0.2039 0.4561
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.2834 0.276
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0332 0.435 1
Loa Loa (eye worm) hypothetical protein 0.0159 0.1702 0.384
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0248 0.3077 0.7142
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Echinococcus granulosus cAMP and cAMP inhibited cGMP 3'5' cyclic 0.037 0.4933 0.488
Trichomonas vaginalis conserved hypothetical protein 0.025 0.3097 0.7051
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Loa Loa (eye worm) hypothetical protein 0.0243 0.299 0.6933
Echinococcus multilocularis muscleblind protein 1 0.0159 0.1702 0.1616
Toxoplasma gondii hypothetical protein 0.025 0.3097 1
Trichomonas vaginalis cAMP/cGMP cyclic nucleotide phosphodiesterase, putative 0.0293 0.3762 0.8616
Plasmodium vivax hypothetical protein, conserved 0.0113 0.0996 0.5
Trichomonas vaginalis conserved hypothetical protein 0.025 0.3097 0.7051
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.1071 0.2326
Trichomonas vaginalis cAMP-specific 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0156 0.1661 0.367
Brugia malayi MAP kinase sur-1 0.0054 0.0102 0.0207
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0293 0.3762 0.8616
Onchocerca volvulus 0.0047 0 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.0996 0.2105
Trichomonas vaginalis cGMP-inhibited 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Trichomonas vaginalis rod cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0332 0.435 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0293 0.3762 1
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0181 0.2039 0.5293
Trichomonas vaginalis high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0082 0.0526 0.0999
Trichomonas vaginalis cGMP-dependent 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Schistosoma mansoni serine/threonine protein kinase 0.0054 0.0102 0.0102
Trypanosoma cruzi cAMP specific phosphodiesterase, putative 0.0293 0.3762 1
Echinococcus granulosus neuropeptide receptor A26 0.0493 0.6816 0.6783
Mycobacterium tuberculosis Two component sensor histidine kinase DevS 0.0151 0.1584 0.3173
Schistosoma mansoni camp/cgmp cyclic nucleotide phosphodiesterase 0.0293 0.3762 0.3762
Echinococcus multilocularis neuropeptide receptor A26 0.0493 0.6816 0.6783
Giardia lamblia Kinase, CMGC MAPK 0.0054 0.0102 0.5
Trichomonas vaginalis cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Echinococcus multilocularis dual 3',5' cyclic AMP and GMP phosphodiesterase 0.0293 0.3762 0.3698
Trypanosoma brucei cAMP-specific phosphodiesterase 0.0293 0.3762 1
Mycobacterium leprae conserved hypothetical protein 0.0113 0.0996 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.2834 0.276
Loa Loa (eye worm) hypothetical protein 0.0159 0.1702 0.384
Trichomonas vaginalis calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative 0.0156 0.1661 0.367
Loa Loa (eye worm) hypothetical protein 0.0214 0.2545 0.5865
Echinococcus granulosus neuropeptide s receptor 0.0493 0.6816 0.6783
Brugia malayi Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative 0.037 0.4933 1
Schistosoma mansoni cgmp-dependent 35-cyclic phosphodiesterase 0.0243 0.299 0.299
Echinococcus multilocularis microtubule associated protein 2 0.0701 1 1
Trichomonas vaginalis cyclic nucleotide phosphodiesterase, putative 0.0293 0.3762 0.8616
Trichomonas vaginalis cone cGMP-specific 3,5-cyclic phosphodiesterase, putative 0.0293 0.3762 0.8616
Trichomonas vaginalis conserved hypothetical protein 0.025 0.3097 0.7051
Trichomonas vaginalis cAMP-specific phosphodiesterase, putative 0.0293 0.3762 0.8616
Echinococcus multilocularis cAMP and cAMP inhibited cGMP 3',5' cyclic 0.037 0.4933 0.488

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.047 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 MDA-N Breast 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 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 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 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 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
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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