Detailed information for compound 701366

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.802 | Formula: C19H16ClN3O3
  • H donors: 2 H acceptors: 3 LogP: 2.36 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(=O)Nc1ccccc1Cl)Nc1cc2CCC(=O)N3c2c(c1)CC3
  • InChi: 1S/C19H16ClN3O3/c20-14-3-1-2-4-15(14)22-19(26)18(25)21-13-9-11-5-6-16(24)23-8-7-12(10-13)17(11)23/h1-4,9-10H,5-8H2,(H,21,25)(H,22,26)
  • InChiKey: JZYBDBGZKLPGLC-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
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0111 0.3425 0.7076
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.128 0.2644
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.1039 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0614 0.0799
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0614 0.0799
Trichomonas vaginalis esterase, putative 0.0035 0.0614 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.7677 1
Mycobacterium ulcerans lipase LipD 0.0035 0.0614 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0189 0.6287 1
Brugia malayi Muscleblind-like protein 0.015 0.484 1
Loa Loa (eye worm) MBCTL1 0.0053 0.128 0.2644
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0189 0.6287 1
Loa Loa (eye worm) hypothetical protein 0.015 0.484 1
Echinococcus multilocularis muscleblind protein 0.015 0.484 0.7699
Echinococcus multilocularis muscleblind protein 1 0.015 0.484 0.7699
Mycobacterium leprae Probable lipase LipE 0.0035 0.0614 0.5
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.1039 0.1653
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0968 0.0968
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0 0.5
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.1039 0.1039
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.128 0.128
Schistosoma mansoni serine/threonine protein kinase 0.0124 0.3882 0.3882
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0968 0.2
Brugia malayi beta-lactamase family protein 0.0035 0.0614 0.1268
Leishmania major hypothetical protein, conserved 0.0035 0.0614 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0614 0.0614
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0968 0.0968
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0614 1
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0111 0.3425 0.7076
Mycobacterium tuberculosis Conserved protein 0.0035 0.0614 0.0799
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0968 0.154
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0614 0.0614
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0614 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0614 0.1268
Loa Loa (eye worm) hypothetical protein 0.0053 0.128 0.2644
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0614 0.0976
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.1039 0.2148
Loa Loa (eye worm) hypothetical protein 0.0035 0.0614 0.1268
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0614 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0614 0.0799
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.1039 0.1039
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0614 0.0799
Brugia malayi mbt repeat family protein 0.0047 0.1039 0.2148
Echinococcus granulosus muscleblind protein 0.015 0.484 0.7699
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.1039 0.1039
Loa Loa (eye worm) hypothetical protein 0.0035 0.0614 0.1268
Brugia malayi beta-lactamase 0.0035 0.0614 0.1268
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.1039 0.1653
Toxoplasma gondii ABC1 family protein 0.0035 0.0614 1
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0124 0.3882 0.802
Loa Loa (eye worm) hypothetical protein 0.0035 0.0614 0.1268
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.1039 0.1653
Loa Loa (eye worm) hypothetical protein 0.0035 0.0614 0.1268
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.128 0.2036
Mycobacterium tuberculosis Conserved protein 0.0035 0.0614 0.0799
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0614 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0614 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0968 0.2
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0614 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0614 0.1268
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0968 0.0968
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0111 0.3425 0.7076
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0968 0.154
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0614 0.0799
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0614 0.0976
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0614 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.128 0.2036
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0124 0.3882 0.802
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0614 1
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0614 0.0799
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.128 0.2036
Loa Loa (eye worm) hypothetical protein 0.0035 0.0614 0.1268
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0968 0.154
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0614 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.128 0.2036
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0111 0.3425 0.5448
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0 0.5
Brugia malayi mbt repeat family protein 0.0047 0.1039 0.2148
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.1039 0.1653
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0111 0.3425 0.5448
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0614 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0614 0.0799
Onchocerca volvulus 0.0047 0.1039 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0614 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1039 0.2148
Brugia malayi beta-lactamase family protein 0.0035 0.0614 0.1268
Loa Loa (eye worm) hypothetical protein 0.015 0.484 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0614 0.0799
Mycobacterium ulcerans beta-lactamase 0.0035 0.0614 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0968 0.154
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0035 0.0614 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0614 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.0614 0.1268
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0614 0.1268

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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