Detailed information for compound 982004

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 384.816 | Formula: C19H17ClN4O3
  • H donors: 1 H acceptors: 4 LogP: 5.51 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)C(=O)Cn1c(C)nc(c1[N+](=O)[O-])Nc1ccccc1C
  • InChi: 1S/C19H17ClN4O3/c1-12-5-3-4-6-16(12)22-18-19(24(26)27)23(13(2)21-18)11-17(25)14-7-9-15(20)10-8-14/h3-10,22H,11H2,1-2H3
  • InChiKey: DZFMMMBHJHHGBA-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
Entamoeba histolytica P-glycoprotein 5, putative 0.001 0.0144 0.5
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.001 0.0144 0.5
Leishmania major p-glycoprotein 0.001 0.0144 0.5
Trichomonas vaginalis ABC transporter, half transporter, putative 0.001 0.0144 1
Trichomonas vaginalis abcb9, putative 0.001 0.0144 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0144 1
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0144 0.0144
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.0144 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0144 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.0144 1
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.012 0.5155 0.5085
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0144 1
Echinococcus multilocularis ATP binding cassette sub family B 0.001 0.0139 0.0139
Loa Loa (eye worm) multidrug resistance protein 3 0.001 0.0144 0.0005
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0144 1
Entamoeba histolytica P-glycoprotein-2 0.001 0.0144 0.5
Echinococcus granulosus peptidyl glycine alpha amidating monooxygenase 0.0227 1 1
Trichomonas vaginalis abcb9, putative 0.001 0.0144 1
Echinococcus granulosus multidrug resistance protein 1 0.001 0.0144 0.0144
Plasmodium vivax multidrug resistance protein 1, putative 0.001 0.0144 0.5
Brugia malayi Copper type II ascorbate-dependent monooxygenase, C-terminal domain containing protein 0.0059 0.237 0.2259
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0144 0.0144
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0144 1
Plasmodium falciparum multidrug resistance protein 1 0.001 0.0144 0.5
Loa Loa (eye worm) hypothetical protein 0.0227 1 1
Loa Loa (eye worm) hypothetical protein 0.012 0.5155 0.5087
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.0144 1
Echinococcus granulosus multidrug resistance protein 1 0.001 0.0144 0.0144
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0144 0.0144
Entamoeba histolytica P-glycoprotein-1 0.001 0.0144 0.5
Echinococcus multilocularis peptidyl glycine alpha amidating monooxygenase 0.0227 1 1
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.001 0.0144 0.0005
Entamoeba histolytica P-glycoprotein-2 0.001 0.0144 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0144 0.0144
Trichomonas vaginalis ABC transporter, putative 0.001 0.0144 1
Schistosoma mansoni peptidylglycine monooxygenase 0.012 0.5155 0.5085
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.0144 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0144 1
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.001 0.0144 0.5
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.001 0.0139 0.0139
Echinococcus multilocularis multidrug resistance protein 1 0.001 0.0144 0.0144
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0144 0.0144
Brugia malayi Copper type II ascorbate-dependent monooxygenase, N-terminal domain containing protein 0.0061 0.2452 0.2342
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0144 1
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.001 0.0144 0.5
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.001 0.0144 0.0144
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.001 0.0144 0.5
Entamoeba histolytica P-glycoprotein-2, putative 0.001 0.0144 0.5
Onchocerca volvulus 0.001 0.0144 0.5
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0144 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0144 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0144 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0144 1
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.001 0.0144 0.5
Trichomonas vaginalis ABC transporter, putative 0.001 0.0144 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0144 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0144 0.0005
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0144 0.0144
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0144 0.0144
Schistosoma mansoni dopamine-beta-monooxygenase 0.012 0.5155 0.5085
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.001 0.0144 1
Echinococcus multilocularis multidrug resistance protein 1 0.001 0.0144 0.0144
Trichomonas vaginalis abcb9, putative 0.001 0.0144 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0144 1
Trichomonas vaginalis taga, putative 0.001 0.0144 1
Echinococcus granulosus multidrug resistance protein 1 0.001 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.001 0.0144 0.0005
Entamoeba histolytica P-glyco protein 6, putative 0.001 0.0144 0.5
Trichomonas vaginalis ABC transporter, half transporter, putative 0.001 0.0144 1
Trichomonas vaginalis ABC transporter, putative 0.001 0.0144 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.001 0.0144 1
Entamoeba histolytica P-glycoprotein-5 0.001 0.0144 0.5
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.001 0.0144 0.0144
Schistosoma mansoni peptidyl-glycine monooxygenase 0.0227 1 1
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.001 0.0144 1
Trichomonas vaginalis ABC transporter, putative 0.001 0.0144 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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