Detailed information for compound 318961

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 475.97 | Formula: C26H26ClN5O2
  • H donors: 0 H acceptors: 3 LogP: 4.06 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)N1CCN(CC1)C(=O)CN(C(=O)c1ccncc1)/N=C/c1ccccc1Cl
  • InChi: 1S/C26H26ClN5O2/c1-20-5-4-7-23(17-20)30-13-15-31(16-14-30)25(33)19-32(26(34)21-9-11-28-12-10-21)29-18-22-6-2-3-8-24(22)27/h2-12,17-18H,13-16,19H2,1H3/b29-18+
  • InChiKey: FXJYPIHGYGNPCR-RDRPBHBLSA-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
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0403 0.5
Onchocerca volvulus 0.0383 1 1
Mycobacterium ulcerans beta-lactamase 0.0041 0.0403 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0717 0.0328
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0717 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0403 0.5614
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0403 0.5614
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0403 0.5
Onchocerca volvulus 0.0383 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0403 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0264 0.6671 1
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0403 0.5
Loa Loa (eye worm) ShTK domain-containing protein 0.0383 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0717 0.0328
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0717 0.0328
Brugia malayi Hypothetical tyrosinase-like protein F21C3.2 in chromosome I 0.0383 1 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0383 1 1
Loa Loa (eye worm) tyrosinase 1 0.0383 1 1
Brugia malayi Common central domain of tyrosinase family protein 0.0383 1 1
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0383 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0403 0.5
Mycobacterium ulcerans hypothetical protein 0.0041 0.0403 0.5
Schistosoma mansoni tyrosinase precursor 0.0383 1 1
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Schistosoma mansoni tyrosinase precursor 0.0383 1 1
Onchocerca volvulus 0.0383 1 1
Toxoplasma gondii ABC1 family protein 0.0041 0.0403 0.5
Brugia malayi Hypothetical tyrosinase-like protein C02C2.1 in chromosome III 0.0383 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0403 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0717 0.0328
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0403 0.5
Loa Loa (eye worm) hypothetical protein 0.0383 1 1
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0403 0.5
Mycobacterium ulcerans lipase LipD 0.0041 0.0403 0.5
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0403 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0403 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0717 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0717 1
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0403 0.5
Mycobacterium leprae conserved hypothetical protein 0.0041 0.0403 0.5
Loa Loa (eye worm) ShTK domain-containing protein 0.0383 1 1
Leishmania major hypothetical protein, conserved 0.0041 0.0403 1
Onchocerca volvulus 0.0383 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0717 1
Mycobacterium leprae Probable lipase LipE 0.0041 0.0403 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0717 0.0328
Trichomonas vaginalis esterase, putative 0.0041 0.0403 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 16 ug ml-1 Minimum inhibitory concentration of the compound against Mycobacterium tuberculosis H37Rv ATCC 27294 ChEMBL. 15745799
MIC (functional) > 16 ug ml-1 Minimum inhibitory concentration of the compound against sensitive Mycobacterium tuberculosis clinical isolates; N=9 ChEMBL. 15745799
MIC (functional) > 16 ug ml-1 Minimum inhibitory concentration of the compound against resistant Mycobacterium tuberculosis clinical isolates; N=9 ChEMBL. 15745799
MIC (functional) > 16 ug ml-1 Minimum inhibitory concentration of the compound against Mycobacterium tuberculosis H37Rv ATCC 27294 ChEMBL. 15745799
MIC (functional) > 16 ug ml-1 Minimum inhibitory concentration of the compound against sensitive Mycobacterium tuberculosis clinical isolates; N=9 ChEMBL. 15745799
MIC (functional) > 16 ug ml-1 Minimum inhibitory concentration of the compound against resistant Mycobacterium tuberculosis clinical isolates; N=9 ChEMBL. 15745799

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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