Detailed information for compound 760647

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 370.873 | Formula: C21H23ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 3.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)N1CCC(CC1)C(=O)Nc1cccc(c1)c1cccc(c1)Cl
  • InChi: 1S/C21H23ClN2O2/c1-2-20(25)24-11-9-15(10-12-24)21(26)23-19-8-4-6-17(14-19)16-5-3-7-18(22)13-16/h3-8,13-15H,2,9-12H2,1H3,(H,23,26)
  • InChiKey: CTQOJFWQEJBMRH-UHFFFAOYSA-N  

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
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0069 0.0493 0.1735
Schistosoma mansoni tar DNA-binding protein 0.0333 0.4409 0.4621
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0 1
Brugia malayi hypothetical protein 0.0118 0.1228 0.2786
Schistosoma mansoni thyroid hormone receptor 0.0134 0.1464 0.1535
Schistosoma mansoni microtubule-associated protein tau 0.0679 0.9541 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0097 0.0917 1
Entamoeba histolytica hypothetical protein 0.0118 0.1228 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0097 0.0917 0.7468
Leishmania major 4-coumarate:coa ligase-like protein 0.0097 0.0917 1
Schistosoma mansoni tar DNA-binding protein 0.0333 0.4409 0.4621
Entamoeba histolytica hypothetical protein 0.0118 0.1228 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0118 0.1228 0.1228
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0097 0.0917 1
Leishmania major alpha glucosidase II subunit, putative 0.0036 0 0.0002
Schistosoma mansoni tar DNA-binding protein 0.0333 0.4409 0.4621
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.016 0.185 0.4195
Loa Loa (eye worm) hypothetical protein 0.0097 0.0917 0.208
Schistosoma mansoni hypothetical protein 0.0124 0.1316 0.138
Schistosoma mansoni alpha-glucosidase 0.0138 0.1519 0.1592
Trypanosoma brucei glucosidase, putative 0.0036 0 1
Brugia malayi RNA binding protein 0.0333 0.4409 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0552 0.1252
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0069 0.0493 0.1735
Entamoeba histolytica acyl-CoA synthetase, putative 0.0097 0.0917 0.7468
Leishmania major 4-coumarate:coa ligase-like protein 0.0097 0.0917 1
Schistosoma mansoni thyroid hormone receptor 0.0134 0.1464 0.1535
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.185 0.185
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0097 0.0917 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0 1
Schistosoma mansoni transcription factor LCR-F1 0.0118 0.1228 0.1287
Plasmodium vivax acyl-CoA synthetase, putative 0.0073 0.0552 1
Brugia malayi AMP-binding enzyme family protein 0.0097 0.0917 0.208
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0 1
Echinococcus granulosus microtubule associated protein 2 0.0679 0.9541 0.9541
Schistosoma mansoni tar DNA-binding protein 0.0333 0.4409 0.4621
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.2841 1
Schistosoma mansoni tar DNA-binding protein 0.0333 0.4409 0.4621
Loa Loa (eye worm) hypothetical protein 0.0073 0.0552 0.1252
Brugia malayi Glycosyl hydrolases family 31 protein 0.016 0.185 0.4195
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0073 0.0552 0.1943
Loa Loa (eye worm) hypothetical protein 0.0097 0.0917 0.208
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0333 0.4409 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0124 0.1316 0.1316
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0 1
Echinococcus multilocularis microtubule associated protein 2 0.0679 0.9541 0.9541
Schistosoma mansoni cellular tumor antigen P53 0.0104 0.1014 0.1062
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0073 0.0552 0.6019
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0097 0.0917 0.3228
Echinococcus multilocularis tumor protein p63 0.071 1 1
Echinococcus granulosus lysosomal alpha glucosidase 0.016 0.185 0.185
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0 1
Loa Loa (eye worm) TAR-binding protein 0.0333 0.4409 1
Mycobacterium ulcerans hypothetical protein 0.0097 0.0917 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0118 0.1228 0.1228
Loa Loa (eye worm) hypothetical protein 0.0097 0.0917 0.208
Brugia malayi TAR-binding protein 0.0333 0.4409 1
Onchocerca volvulus 0.0104 0.1014 1
Brugia malayi AMP-binding enzyme family protein 0.0097 0.0917 0.208
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0097 0.0917 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0097 0.0917 0.7468
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0 1
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0073 0.0552 0.5
Entamoeba histolytica hypothetical protein 0.0118 0.1228 1
Entamoeba histolytica hypothetical protein 0.0118 0.1228 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0097 0.0917 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0124 0.1316 0.1316
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0552 0.1252
Brugia malayi RNA recognition motif domain containing protein 0.0333 0.4409 1
Plasmodium falciparum acyl-CoA synthetase 0.0073 0.0552 0.5
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0097 0.0917 0.3228
Mycobacterium ulcerans acyl-CoA synthetase 0.0097 0.0917 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0097 0.0917 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.0552 0.1252
Brugia malayi AMP-binding enzyme family protein 0.0097 0.0917 0.208
Loa Loa (eye worm) hypothetical protein 0.0104 0.1014 0.2299
Onchocerca volvulus 0.0093 0.0847 0.8361
Schistosoma mansoni alpha-glucosidase 0.0138 0.1519 0.1592
Echinococcus multilocularis thyroid hormone receptor alpha 0.0134 0.1464 0.1464
Loa Loa (eye worm) hypothetical protein 0.0073 0.0552 0.1252
Mycobacterium ulcerans acyl-CoA synthetase 0.0097 0.0917 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0069 0.0493 0.1735
Loa Loa (eye worm) RNA binding protein 0.0333 0.4409 1
Echinococcus multilocularis tar DNA binding protein 0.0333 0.4409 0.4409
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0097 0.0917 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0069 0.0493 0.1735
Echinococcus granulosus tar DNA binding protein 0.0333 0.4409 0.4409
Echinococcus multilocularis lysosomal alpha glucosidase 0.016 0.185 0.185
Schistosoma mansoni hypothetical protein 0.0118 0.1228 0.1287
Onchocerca volvulus 0.0097 0.0917 0.905
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0097 0.0917 1

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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