Detailed information for compound 1594125

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 499.942 | Formula: C24H19ClFN3O4S
  • H donors: 2 H acceptors: 4 LogP: 3.98 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)c(c1ccc[nH]c1=O)c(n2Cc1ccccc1F)C(=O)NS(=O)(=O)C1CC1
  • InChi: 1S/C24H19ClFN3O4S/c25-15-7-10-20-18(12-15)21(17-5-3-11-27-23(17)30)22(24(31)28-34(32,33)16-8-9-16)29(20)13-14-4-1-2-6-19(14)26/h1-7,10-12,16H,8-9,13H2,(H,27,30)(H,28,31)
  • InChiKey: GGMHLPQQQCDIFG-UHFFFAOYSA-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
Loa Loa (eye worm) TAR-binding protein 0.0066 0.371 0.5652
Schistosoma mansoni patched 1 0.0044 0.1995 0.098
Entamoeba histolytica hypothetical protein 0.0038 0.1485 0.1641
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0 0.5
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0487 1
Schistosoma mansoni hypothetical protein 0.0042 0.1871 0.0742
Schistosoma mansoni hypothetical protein 0.0042 0.1871 0.0742
Echinococcus multilocularis Niemann Pick C1 protein 0.0147 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0487 0.0742
Brugia malayi Niemann-Pick C1 protein precursor 0.0103 0.6565 1
Plasmodium falciparum acyl-CoA synthetase 0.0018 0 0.5
Brugia malayi hypothetical protein 0.0038 0.1485 0.1641
Loa Loa (eye worm) hypothetical protein 0.0025 0.0487 0.0742
Brugia malayi TAR-binding protein 0.0066 0.371 0.5303
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0025 0.0487 1
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.371 0.5303
Onchocerca volvulus 0.0025 0.0487 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0025 0.0487 1
Echinococcus multilocularis protein dispatched 1 0.005 0.248 0.1169
Brugia malayi RNA binding protein 0.0066 0.371 0.5303
Echinococcus multilocularis tar DNA binding protein 0.0066 0.371 0.2613
Echinococcus multilocularis sterol regulatory element binding protein 0.0044 0.1995 0.0599
Entamoeba histolytica hypothetical protein 0.0038 0.1485 0.1641
Echinococcus multilocularis expressed conserved protein 0.0096 0.6079 0.5396
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0487 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0066 0.371 0.5652
Brugia malayi CHE-14 protein 0.0044 0.1995 0.2481
Loa Loa (eye worm) hypothetical protein 0.0054 0.2768 0.4216
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0103 0.6565 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.371 0.4276
Schistosoma mansoni tar DNA-binding protein 0.0066 0.371 0.4276
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0487 0.5
Schistosoma mansoni tar DNA-binding protein 0.0066 0.371 0.4276
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0025 0.0487 1
Entamoeba histolytica hypothetical protein 0.0038 0.1485 0.1641
Echinococcus granulosus expressed conserved protein 0.0096 0.6079 0.5396
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0487 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0025 0.0487 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0487 1
Mycobacterium ulcerans hypothetical protein 0.0025 0.0487 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0103 0.6565 0.5966
Echinococcus granulosus sterol regulatory element binding protein 0.0044 0.1995 0.0599
Echinococcus multilocularis protein patched 0.0044 0.1995 0.0599
Loa Loa (eye worm) RNA binding protein 0.0066 0.371 0.5652
Echinococcus granulosus Protein patched homolog 1 0.0044 0.1995 0.0599
Loa Loa (eye worm) hypothetical protein 0.0025 0.0487 0.0742
Schistosoma mansoni tar DNA-binding protein 0.0066 0.371 0.4276
Echinococcus granulosus tar DNA binding protein 0.0066 0.371 0.2613
Mycobacterium ulcerans acyl-CoA synthetase 0.0025 0.0487 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0025 0.0487 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0025 0.0487 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.1995 0.3039
Schistosoma mansoni hypothetical protein 0.0042 0.1871 0.0742
Echinococcus granulosus Niemann Pick C1 protein 0.0103 0.6565 0.5966
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0044 0.1995 0.3039
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0104 0.6689 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.371 0.4276
Entamoeba histolytica hypothetical protein 0.0038 0.1485 0.1641
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0025 0.0487 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.6565 1
Trichomonas vaginalis conserved hypothetical protein 0.0044 0.1995 0.5
Schistosoma mansoni hypothetical protein 0.0042 0.1871 0.0742
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0025 0.0487 0.5

Activities

No activities found for this compound.

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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