Detailed information for compound 1223258

Basic information

Technical information
  • TDR Targets ID: 1223258
  • Name: 2-[5-(4-chlorophenyl)thieno[3,2-e]pyrimidin-4 -yl]-5-methylpyrazol-3-amine
  • MW: 341.818 | Formula: C16H12ClN5S
  • H donors: 1 H acceptors: 3 LogP: 4.16 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)c1csc2c1c(ncn2)n1nc(cc1N)C
  • InChi: 1S/C16H12ClN5S/c1-9-6-13(18)22(21-9)15-14-12(7-23-16(14)20-8-19-15)10-2-4-11(17)5-3-10/h2-8H,18H2,1H3
  • InChiKey: CJVYTORHCUQKCG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[5-(4-chlorophenyl)thieno[3,2-e]pyrimidin-4-yl]-5-methyl-pyrazol-3-amine
  • 2-[5-(4-chlorophenyl)-4-thieno[3,2-e]pyrimidinyl]-5-methyl-3-pyrazolamine
  • [2-[5-(4-chlorophenyl)thieno[3,2-e]pyrimidin-4-yl]-5-methyl-pyrazol-3-yl]amine
  • ZINC00351583
  • 1-[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]-3-methyl-1H-pyrazol-5-amine
  • MLS000547540
  • SMR000114026
  • AF-399/40684469

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
Echinococcus granulosus lysine specific demethylase 5A 0.0072 0.0323 0.1205
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0688 0.5268 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0073 0.0327 0.0327
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0688 0.5268 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.1904 1
Echinococcus multilocularis jumonji domain containing protein 0.0083 0.041 0.1736
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.1161 0.5949
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0251 0.1759 1
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.1904 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0269 0.1904 0.1904
Brugia malayi chromobox protein homolog 3 0.0041 0.0071 0.0222
Giardia lamblia Fructose-bisphosphate aldolase 0.0149 0.0938 1
Echinococcus granulosus chromobox protein 1 0.0073 0.0327 0.1227
Echinococcus multilocularis geminin 0.017 0.1108 0.6013
Loa Loa (eye worm) hypothetical protein 0.0041 0.0071 0.0071
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0161 0.0704
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0938 0.4732
Toxoplasma gondii hypothetical protein 0.0461 0.3449 1
Schistosoma mansoni hypothetical protein 0.017 0.1108 0.6238
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0127 0.0564
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0938 0.4732
Echinococcus multilocularis PHD finger protein rhinoceros 0.006 0.0222 0.0588
Loa Loa (eye worm) hypothetical protein 0.0052 0.0161 0.0161
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0195 0.1311 0.726
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.1161 0.5949
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0688 0.5268 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0161 0.0704
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.1161 0.5949
Echinococcus multilocularis chromobox protein 1 0.0073 0.0327 0.1227
Echinococcus multilocularis lysine specific demethylase 5A 0.0072 0.0323 0.1205
Treponema pallidum fructose-bisphosphate aldolase 0.0149 0.0938 0.5
Brugia malayi Bromodomain containing protein 0.006 0.0222 0.1032
Schistosoma mansoni jumonji domain containing protein 0.0155 0.0989 0.5552
Onchocerca volvulus 0.0237 0.1651 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0127 0.0564
Brugia malayi PHD-finger family protein 0.006 0.0222 0.1032
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.006 0.0222 0.0222
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0251 0.1759 1
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.1161 0.5949
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.1904 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0149 0.0938 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0127 0.0564
Loa Loa (eye worm) hypothetical protein 0.0461 0.3449 0.3449
Brugia malayi jmjC domain containing protein 0.0195 0.1311 0.6838
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0071 0.0428
Onchocerca volvulus 0.0042 0.008 0.0482
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0251 0.1759 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0149 0.0938 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0938 0.4732
Loa Loa (eye worm) hypothetical protein 0.0102 0.0564 0.0564
Schistosoma mansoni jumonji/arid domain-containing protein 0.0072 0.0323 0.1701
Loa Loa (eye worm) PHD-finger family protein 0.006 0.0222 0.0222
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.1161 0.5949
Schistosoma mansoni hypothetical protein 0.006 0.0222 0.1119
Loa Loa (eye worm) hypothetical protein 0.0461 0.3449 0.3449
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0044 0.0095 0.0578
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0938 0.4732
Echinococcus multilocularis chromobox protein 1 0.0073 0.0327 0.1227
Brugia malayi Heterochromatin protein 1 0.0073 0.0327 0.1588
Schistosoma mansoni chromobox protein 0.0073 0.0327 0.1722
Echinococcus granulosus chromobox protein 1 0.0073 0.0327 0.1227
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.1904 1
Trichomonas vaginalis set domain proteins, putative 0.0237 0.1651 0.8617
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0938 0.4732
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0195 0.1311 0.726
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.1904 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0938 0.4732
Brugia malayi jmjC domain containing protein 0.0072 0.0323 0.1569
Schistosoma mansoni chromobox protein 0.0073 0.0327 0.1722
Brugia malayi Pre-SET motif family protein 0.0209 0.1419 0.7413
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.1419 0.1419
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.1238 0.6365
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0938 0.4732
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.006 0.0222 0.1119
Loa Loa (eye worm) jmjC domain-containing protein 0.0072 0.0323 0.0323
Echinococcus granulosus PHD finger protein rhinoceros 0.006 0.0222 0.0588
Loa Loa (eye worm) jmjC domain-containing protein 0.0123 0.0732 0.0732
Echinococcus granulosus geminin 0.017 0.1108 0.6013
Loa Loa (eye worm) hypothetical protein 0.1277 1 1
Schistosoma mansoni hypothetical protein 0.017 0.1108 0.6238
Trichomonas vaginalis chromobox protein, putative 0.0073 0.0327 0.1397
Onchocerca volvulus Alhambra homolog 0.006 0.0222 0.1348
Onchocerca volvulus Glucosylceramidase homolog 0.0177 0.1161 0.7036
Echinococcus granulosus jumonji domain containing protein 0.0083 0.041 0.1736
Echinococcus multilocularis peregrin 0.006 0.0222 0.0588
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0095 0.0135
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0149 0.0938 0.4732
Plasmodium vivax hypothetical protein, conserved 0.006 0.0222 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0042 0.008 0.0293
Trichomonas vaginalis glucosylceramidase, putative 0.0186 0.1238 0.6365
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0269 0.1904 1
Trichomonas vaginalis chromobox protein, putative 0.0044 0.0095 0.0135
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.1161 0.5949
Echinococcus granulosus peregrin 0.006 0.0222 0.0588
Schistosoma mansoni jumonji/arid domain-containing protein 0.0072 0.0323 0.1701
Trichomonas vaginalis glucosylceramidase, putative 0.0177 0.1161 0.5949
Trichomonas vaginalis chromobox protein, putative 0.0073 0.0327 0.1397
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0127 0.052
Trichomonas vaginalis glucosylceramidase, putative 0.0269 0.1904 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0161 0.0161
Plasmodium falciparum phd finger protein, putative 0.006 0.0222 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.0029 0.0029

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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.

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