Detailed information for compound 1063265

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.835 | Formula: C22H17ClN2O3
  • H donors: 1 H acceptors: 3 LogP: 3.29 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)NC(=O)c1ccc(cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C[C@@H]2C=C1
  • InChi: 1S/C22H17ClN2O3/c23-15-2-1-3-16(11-15)24-20(26)12-6-8-17(9-7-12)25-21(27)18-13-4-5-14(10-13)19(18)22(25)28/h1-9,11,13-14,18-19H,10H2,(H,24,26)/t13-,14+,18-,19+
  • InChiKey: DSOLPPPKBCHZEG-SLDRDFCHSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 carbonic anhydrase II (carbonate dehydratase II) 0.0173 0.0448 0.0048
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0173 0.0448 0.0112
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0476 0.3178 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.088 0.6831 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0332 0.1879 0.5294
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0476 0.3178 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0332 0.1879 0.5294
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0314 0.1717 0.4706
Trypanosoma brucei carbonic anhydrase-like protein 0.0173 0.0448 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0173 0.0448 0.0112
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0476 0.3178 1
Schistosoma mansoni carbonic anhydrase-related 0.0173 0.0448 0.0048
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0173 0.0448 0.0993
Loa Loa (eye worm) hypothetical protein 0.0173 0.0448 0.0516
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0173 0.0448 0.0112
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0446 0.2908 0.9021
Toxoplasma gondii hypothetical protein 0.0173 0.0448 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0426 0.2728 0.8516
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0173 0.0448 0.0516
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.022 0.0869 0.1637
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0173 0.0448 0.0112
Loa Loa (eye worm) hypothetical protein 0.0173 0.0448 0.0516
Plasmodium falciparum carbonic anhydrase 0.0173 0.0448 0.5
Schistosoma mansoni carbonic anhydrase-related 0.0173 0.0448 0.0048
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0173 0.0448 0.0993
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0314 0.1717 0.1328
Entamoeba histolytica hypothetical protein 0.0382 0.2331 0.6931
Loa Loa (eye worm) hypothetical protein 0.0162 0.0344 0.0337
Loa Loa (eye worm) hypothetical protein 0.0173 0.0448 0.0516
Schistosoma mansoni hypothetical protein 0.0173 0.0448 0.0048
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.017 0.0418 0.0891
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0314 0.1717 0.1328
Schistosoma mansoni carbonic anhydrase 0.0173 0.0448 0.0048
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.088 0.6831 0.6683
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0173 0.0448 0.0516
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0238 0.1032 1
Loa Loa (eye worm) carbonic anhydrase 3 0.0173 0.0448 0.0516
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0173 0.0448 0.0112
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0476 0.3178 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0786 0.5984 1
Schistosoma mansoni carbonic anhydrase-related 0.0173 0.0448 0.0048
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0173 0.0448 0.0112
Loa Loa (eye worm) hypothetical protein 0.0314 0.1717 0.2688
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0173 0.0448 0.0112
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0476 0.3178 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.088 0.6831 0.6683
Leishmania major hypothetical protein, conserved 0.0456 0.2998 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0404 0.2536 0.7675
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0476 0.3178 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0476 0.3178 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0173 0.0448 0.0048
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0382 0.2331 0.6931
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.1231 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) > 25 uM Inhibition of Wnt3 expressed in mouse L-cells assessed as inhibition of Wnt/catanin signaling pathway by luciferase reporter gene assay ChEMBL. 19410457

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

1 literature reference was collected for this gene.

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