Detailed information for compound 174146

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 282.659 | Formula: C13H12ClO3P
  • H donors: 2 H acceptors: 3 LogP: 2.22 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)C(P(=O)(O)O)c1ccccc1
  • InChi: 1S/C13H12ClO3P/c14-12-8-4-7-11(9-12)13(18(15,16)17)10-5-2-1-3-6-10/h1-9,13H,(H2,15,16,17)
  • InChiKey: DMJQGRHHVJTQAG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens acid phosphatase, prostate Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi membrane-bound acid phosphatase 2, putative Get druggable targets OG5_127341 All targets in OG5_127341
Brugia malayi Histidine acid phosphatase family protein Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis acid phosphatase, putative Get druggable targets OG5_127341 All targets in OG5_127341
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Leishmania mexicana membrane-bound acid phosphatase 2, putative Get druggable targets OG5_127341 All targets in OG5_127341
Echinococcus multilocularis lysosomal acid phosphatase Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Trypanosoma cruzi membrane-bound acid phosphatase 2, putative Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis acid phosphatase, putative Get druggable targets OG5_127341 All targets in OG5_127341
Leishmania donovani membrane-bound acid phosphatase 2, putative Get druggable targets OG5_127341 All targets in OG5_127341
Leishmania braziliensis membrane-bound acid phosphatase 2 Get druggable targets OG5_127341 All targets in OG5_127341
Echinococcus granulosus lysosomal acid phosphatase Get druggable targets OG5_127341 All targets in OG5_127341
Leishmania donovani membrane-bound acid phosphatase 2 Get druggable targets OG5_127341 All targets in OG5_127341
Schistosoma japonicum ko:K01078 acid phosphatase [EC3.1.3.2], putative Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis Lysophosphatidic acid phosphatase type 6 precursor, putative Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis acid phosphatase, putative Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Trypanosoma brucei membrane-bound acid phosphatase 2 Get druggable targets OG5_127341 All targets in OG5_127341
Entamoeba histolytica histidine acid phosphatase family protein Get druggable targets OG5_127341 All targets in OG5_127341
Echinococcus multilocularis lysosomal acid phosphatase Get druggable targets OG5_127341 All targets in OG5_127341
Giardia lamblia Lysosomal acid phosphatase precursor Get druggable targets OG5_127341 All targets in OG5_127341
Echinococcus multilocularis lysosomal acid phosphatase Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis testicular acid phosphatase, putative Get druggable targets OG5_127341 All targets in OG5_127341
Schistosoma mansoni acid phosphatase-related Get druggable targets OG5_127341 All targets in OG5_127341
Schistosoma japonicum Lysosomal acid phosphatase precursor, putative Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Leishmania major membrane-bound acid phosphatase 2, putative Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Echinococcus granulosus lysosomal acid phosphatase Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Leishmania major membrane-bound acid phosphatase 2 Get druggable targets OG5_127341 All targets in OG5_127341
Leishmania braziliensis membrane-bound acid phosphatase 2, putative Get druggable targets OG5_127341 All targets in OG5_127341
Echinococcus multilocularis lysosomal acid phosphatase Get druggable targets OG5_127341 All targets in OG5_127341
Leishmania mexicana membrane-bound acid phosphatase 2 Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Schistosoma japonicum Testicular acid phosphatase homolog precursor, putative Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis acid phosphatase, putative Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis acid phosphatase, putative Get druggable targets OG5_127341 All targets in OG5_127341
Onchocerca volvulus Get druggable targets OG5_127341 All targets in OG5_127341
Trypanosoma cruzi membrane-bound acid phosphatase 2, putative Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis histidine acid phosphatase, putative Get druggable targets OG5_127341 All targets in OG5_127341
Trypanosoma brucei gambiense membrane-bound acid phosphatase 1 precursor, putative Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis prostatic acid phosphatase, putative Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Leishmania infantum membrane-bound acid phosphatase 2, putative Get druggable targets OG5_127341 All targets in OG5_127341
Entamoeba histolytica histidine acid phosphatase family protein Get druggable targets OG5_127341 All targets in OG5_127341
Trypanosoma brucei membrane-bound acid phosphatase 1 precursor Get druggable targets OG5_127341 All targets in OG5_127341
Trypanosoma brucei gambiense membrane-bound acid phosphatase 2, putative Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis acid phosphatase, putative Get druggable targets OG5_127341 All targets in OG5_127341
Schistosoma mansoni prostatic acid phosphatase Get druggable targets OG5_127341 All targets in OG5_127341
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_127341 All targets in OG5_127341
Leishmania infantum membrane-bound acid phosphatase 2 Get druggable targets OG5_127341 All targets in OG5_127341
Trypanosoma congolense membrane-bound acid phosphatase 2 Get druggable targets OG5_127341 All targets in OG5_127341
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Leishmania major membrane-bound acid phosphatase precursor acid phosphatase, prostate 386 aa 315 aa 27.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus Protein ultraspiracle homolog 0.0159 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0159 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0159 1 1
Schistosoma mansoni coup transcription factor 0.0159 1 1
Brugia malayi nuclear receptor NHR-88 0.0075 0.4144 0.4144
Loa Loa (eye worm) hypothetical protein 0.0075 0.4144 0.4144
Onchocerca volvulus 0.0075 0.4144 0.4144
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0159 1 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.4771 0.4771
Brugia malayi nuclear receptor NHR-88 0.0159 1 1
Echinococcus multilocularis nuclear receptor nhr 48 0.0075 0.4144 0.4144
Schistosoma mansoni steroid hormone receptor ad4bp 0.0159 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0084 0.4771 0.4771
Loa Loa (eye worm) hypothetical protein 0.0075 0.4144 0.4144
Onchocerca volvulus 0.0075 0.4144 0.4144
Echinococcus granulosus Nuclear hormone receptor HR96 0.0075 0.4144 0.4144
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0159 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0159 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0159 1 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0159 1 1
Loa Loa (eye worm) hypothetical protein 0.0159 1 1
Loa Loa (eye worm) hypothetical protein 0.0159 1 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0075 0.4144 0.4144
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0159 1 1
Trichomonas vaginalis histidine acid phosphatase, putative 0.0016 0 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0159 1 1
Trichomonas vaginalis testicular acid phosphatase, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.4771 0.4771
Echinococcus granulosus FTZ F1 alpha 0.0159 1 1
Trichomonas vaginalis acid phosphatase, putative 0.0016 0 0.5
Schistosoma mansoni nuclear receptor 0.0075 0.4144 0.4144
Brugia malayi nuclear hormone receptor 0.0159 1 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0075 0.4144 0.4144
Onchocerca volvulus Bile acid receptor homolog 0.0159 1 1
Brugia malayi conserved hypotetical protein 0.0075 0.4144 0.4144
Brugia malayi Nuclear hormone receptor-like 1 0.0159 1 1
Entamoeba histolytica histidine acid phosphatase family protein 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0084 0.4771 0.4771
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0159 1 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0075 0.4144 0.4144
Brugia malayi nuclear hormone receptor family member nhr-6 0.0075 0.4144 0.4144
Echinococcus granulosus nuclear receptor nhr 48 0.0075 0.4144 0.4144
Brugia malayi hypothetical protein 0.0075 0.4144 0.4144
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0159 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0159 1 1
Loa Loa (eye worm) hypothetical protein 0.0159 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0075 0.4144 0.4144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0159 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0159 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0159 1 1
Brugia malayi nuclear receptor NHR-67 0.0075 0.4144 0.4144
Echinococcus multilocularis FTZ F1 alpha 0.0159 1 1
Leishmania major membrane-bound acid phosphatase 2, putative 0.0016 0 0.5
Brugia malayi orphan nuclear receptor NR2E1 0.0075 0.4144 0.4144
Echinococcus multilocularis ecdysone induced protein 78C 0.0159 1 1
Trichomonas vaginalis acid phosphatase, putative 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0159 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0159 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0159 1 1
Schistosoma mansoni zinc finger protein 0.0075 0.4144 0.4144
Loa Loa (eye worm) nuclear receptor NHR-67 0.0075 0.4144 0.4144
Loa Loa (eye worm) hypothetical protein 0.0159 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.4144 0.4144
Loa Loa (eye worm) hypothetical protein 0.0075 0.4144 0.4144
Loa Loa (eye worm) hypothetical protein 0.0159 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0075 0.4144 0.4144
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0084 0.4771 0.4771
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0084 0.4771 0.4771
Brugia malayi hypothetical protein 0.0084 0.4771 0.4771
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0075 0.4144 0.4144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0159 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0075 0.4144 0.4144
Echinococcus granulosus Nuclear hormone receptor HR96 0.0075 0.4144 0.4144
Schistosoma mansoni nuclear hormone receptor 0.0075 0.4144 0.4144
Brugia malayi nuclear receptor RXR 0.0084 0.4771 0.4771
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0159 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0084 0.4771 0.4771
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0159 1 1
Loa Loa (eye worm) DR-78 0.0075 0.4144 0.4144
Loa Loa (eye worm) hypothetical protein 0.0075 0.4144 0.4144
Trichomonas vaginalis acid phosphatase, putative 0.0016 0 0.5
Trichomonas vaginalis acid phosphatase, putative 0.0016 0 0.5
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0075 0.4144 0.4144
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0159 1 1
Loa Loa (eye worm) hypothetical protein 0.0159 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0159 1 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0075 0.4144 0.4144
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0159 1 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0075 0.4144 0.4144
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0075 0.4144 0.4144
Trichomonas vaginalis Lysophosphatidic acid phosphatase type 6 precursor, putative 0.0016 0 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0159 1 1
Echinococcus granulosus thyroid hormone receptor alpha 0.0075 0.4144 0.4144
Entamoeba histolytica histidine acid phosphatase family protein 0.0016 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0159 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0159 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0159 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0159 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0159 1 1
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0084 0.4771 0.4771
Trichomonas vaginalis acid phosphatase, putative 0.0016 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0159 1 1
Brugia malayi nuclear hormone receptor 0.0075 0.4144 0.4144
Loa Loa (eye worm) hypothetical protein 0.0084 0.4771 0.4771
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0075 0.4144 0.4144
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0159 1 1
Brugia malayi tailless protein 0.0075 0.4144 0.4144
Loa Loa (eye worm) hypothetical protein 0.0075 0.4144 0.4144
Loa Loa (eye worm) hypothetical protein 0.0075 0.4144 0.4144
Giardia lamblia Lysosomal acid phosphatase precursor 0.0016 0 0.5
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0075 0.4144 0.4144
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0159 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0159 1 1
Schistosoma mansoni nuclear receptor nhr-48 0.0075 0.4144 0.4144
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0159 1 1
Leishmania major membrane-bound acid phosphatase 2 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0159 1 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0159 1 1
Brugia malayi ecdysone receptor 0.0075 0.4144 0.4144
Brugia malayi nuclear hormone receptor family member odr-7 0.0075 0.4144 0.4144
Loa Loa (eye worm) hypothetical protein 0.0075 0.4144 0.4144
Schistosoma mansoni RAR-like nuclear receptor 0.0159 1 1
Brugia malayi Nuclear hormone receptor E75 0.0075 0.4144 0.4144
Brugia malayi steroid hormone receptor 0.0159 1 1
Brugia malayi hypothetical protein 0.0075 0.4144 0.4144
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0159 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0159 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.4144 0.4144
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0084 0.4771 0.4771
Schistosoma mansoni nuclear receptor 0.0075 0.4144 0.4144
Loa Loa (eye worm) hypothetical protein 0.0075 0.4144 0.4144
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0159 1 1
Brugia malayi nuclear receptor RXR 0.0075 0.4144 0.4144
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0159 1 1
Loa Loa (eye worm) hypothetical protein 0.0084 0.4771 0.4771
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0159 1 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0159 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0159 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Trichomonas vaginalis acid phosphatase, putative 0.0016 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0159 1 1
Schistosoma mansoni nuclear hormone receptor 0.0075 0.4144 0.4144
Loa Loa (eye worm) hypothetical protein 0.0075 0.4144 0.4144
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0159 1 1
Onchocerca volvulus 0.0159 1 1
Schistosoma mansoni nuclear hormone receptor 0.0159 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0075 0.4144 0.4144
Schistosoma mansoni thyroid hormone receptor 0.0159 1 1
Brugia malayi hypothetical protein 0.0084 0.4771 0.4771
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0159 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0159 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.4144 0.4144
Loa Loa (eye worm) hypothetical protein 0.0075 0.4144 0.4144
Trichomonas vaginalis prostatic acid phosphatase, putative 0.0016 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0159 1 1
Brugia malayi Nuclear hormone receptor E75 0.0075 0.4144 0.4144
Brugia malayi Nuclear hormone receptor-like 1 0.0084 0.4771 0.4771

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15 uM Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate ChEMBL. No reference
IC50 (binding) = 15 uM Inhibition of human prostatic acid phosphatase was determined as inhibition of the hydrolysis of tyrosine phosphate 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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