Detailed information for compound 27509

Basic information

Technical information
  • TDR Targets ID: 27509
  • Name: 5-phenyl-2-(2H-tetrazol-5-yl)pyrano[3,2-b]ind ol-4-one
  • MW: 329.312 | Formula: C18H11N5O2
  • H donors: 1 H acceptors: 4 LogP: 2.84 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(oc2c1n(c1ccccc1)c1c2cccc1)c1n[nH]nn1
  • InChi: 1S/C18H11N5O2/c24-14-10-15(18-19-21-22-20-18)25-17-12-8-4-5-9-13(12)23(16(14)17)11-6-2-1-3-7-11/h1-10H,(H,19,20,21,22)
  • InChiKey: GVQWDVAARZRQCS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-phenyl-2-(2H-tetrazol-5-yl)-4-pyrano[3,2-b]indolone
  • 5-phenyl-2-(2H-1,2,3,4-tetrazol-5-yl)pyrano[3,2-b]indol-4-one

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 hypothetical protein 0.004 0.005 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.107 0.1679 1
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0027 0.003 0.003
Onchocerca volvulus 0.0019 0.0017 0.0103
Brugia malayi Carboxylesterase family protein 0.107 0.1679 0.1679
Brugia malayi amine oxidase, flavin-containing family protein 0.0047 0.0061 0.0061
Loa Loa (eye worm) carboxylesterase 0.107 0.1679 0.1679
Echinococcus granulosus lysine specific histone demethylase 1A 0.0047 0.0061 0.0061
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0037 0.0037
Brugia malayi Eukaryotic aspartyl protease family protein 0.0019 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0047 0.0061 0.0061
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0662 0.1034 0.6016
Loa Loa (eye worm) hypothetical protein 0.0019 0.0017 0.0017
Loa Loa (eye worm) carboxylesterase 0.107 0.1679 0.1679
Toxoplasma gondii histone lysine-specific demethylase 0.0047 0.0061 1
Brugia malayi Pre-SET motif family protein 0.0232 0.0354 0.0354
Echinococcus multilocularis BC026374 protein (S09 family) 0.107 0.1679 0.1679
Loa Loa (eye worm) hypothetical protein 0.107 0.1679 0.1679
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.005 0.005
Brugia malayi Choline O-acetyltransferase 0.0183 0.0276 0.0276
Schistosoma mansoni cathepsin D (A01 family) 0.0019 0.0017 0.0017
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.107 0.1679 1
Leishmania major UDP-galactopyranose mutase 0.0047 0.0061 0.0505
Loa Loa (eye worm) hypothetical protein 0.0033 0.0039 0.0039
Loa Loa (eye worm) acetylcholinesterase 1 0.633 1 1
Echinococcus multilocularis neuroligin 0.107 0.1679 0.1679
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0019 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0047 0.0061 0.0061
Echinococcus granulosus carboxylesterase 5A 0.633 1 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0027 0.003 0.003
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0006 0.0006
Brugia malayi hypothetical protein 0.107 0.1679 0.1679
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.107 0.1679 1
Entamoeba histolytica hypothetical protein 0.004 0.005 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0019 0.0017 0.0017
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0047 0.0061 0.0061
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0047 0.0061 1
Onchocerca volvulus 0.0027 0.003 0.0178
Echinococcus granulosus BC026374 protein S09 family 0.107 0.1679 0.1679
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0041 0.0052 0.0052
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0039 0.0039
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.0052 0.0052
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0047 0.0061 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.107 0.1679 0.1679
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0006 0.0006
Plasmodium vivax hypothetical protein, conserved 0.0047 0.0061 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0662 0.1034 0.6016
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0019 0.0017 0.0017
Onchocerca volvulus 0.0264 0.0404 0.2409
Plasmodium vivax hypothetical protein, conserved 0.0047 0.0061 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0048 0.0182
Onchocerca volvulus 0.107 0.1679 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.107 0.1679 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0039 0.0039
Schistosoma mansoni amine oxidase 0.0047 0.0061 0.0061
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0047 0.0061 0.0061
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0027 0.003 0.003
Loa Loa (eye worm) hypothetical protein 0.021 0.0319 0.0319
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0038 0.0048 0.0182
Loa Loa (eye worm) hypothetical protein 0.107 0.1679 0.1679
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0047 0.0061 1
Loa Loa (eye worm) hypothetical protein 0.107 0.1679 0.1679
Echinococcus granulosus para nitrobenzyl esterase 0.107 0.1679 0.1679
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0041 0.0052 0.0052
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0027 0.003 0.003
Onchocerca volvulus 0.0027 0.003 0.0178
Onchocerca volvulus 0.107 0.1679 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0006
Schistosoma mansoni choline o-acyltransferase 0.0183 0.0276 0.0276
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.107 0.1679 0.1679
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0019 0.0017 0.0017
Loa Loa (eye worm) choline O-acetyltransferase 0.0183 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0036 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.107 0.1679 0.1679
Echinococcus multilocularis acetylcholinesterase 0.633 1 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0019 0.0017 0.0017
Schistosoma mansoni hypothetical protein 0.0058 0.0078 0.0078
Echinococcus multilocularis 0.0047 0.0061 0.0061
Loa Loa (eye worm) hypothetical protein 0.633 1 1
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0006 0.0006
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0006 0.0006
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0019 0.0017 0.0017
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0027 0.003 0.003
Brugia malayi Carboxylesterase family protein 0.107 0.1679 0.1679
Echinococcus multilocularis choline O acetyltransferase 0.0183 0.0276 0.0276
Onchocerca volvulus 0.0019 0.0017 0.0103
Loa Loa (eye worm) hypothetical protein 0.107 0.1679 0.1679
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0019 0.0017 0.0017
Trypanosoma cruzi UDP-galactopyranose mutase 0.0047 0.0061 0.0505
Onchocerca volvulus 0.0033 0.0039 0.0235
Loa Loa (eye worm) carboxylesterase 0.633 1 1
Schistosoma mansoni choline o-acyltransferase 0.0027 0.003 0.003
Onchocerca volvulus 0.107 0.1679 1
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0027 0.003 0.003
Trypanosoma brucei C-8 sterol isomerase, putative 0.041 0.0636 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0232 0.0354 0.0354
Echinococcus multilocularis carboxylesterase 5A 0.633 1 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0047 0.0061 0.5
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0006 0.0006
Onchocerca volvulus 0.107 0.1679 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.003 0.003
Echinococcus granulosus neuroligin 0.107 0.1679 0.1679
Loa Loa (eye worm) hypothetical protein 0.107 0.1679 0.1679
Schistosoma mansoni memapsin-2 (A01 family) 0.0481 0.0747 0.0747
Loa Loa (eye worm) aspartyl protease 6 0.0019 0.0017 0.0017
Onchocerca volvulus 0.0027 0.003 0.0178
Plasmodium falciparum protoporphyrinogen oxidase 0.0047 0.0061 1
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0027 0.003 0.003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0039 0.0039
Schistosoma mansoni neuroligin 3 (S09 family) 0.107 0.1679 0.1679
Schistosoma mansoni cathepsin D (A01 family) 0.0019 0.0017 0.0017
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0019 0.0017 0.0017
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0047 0.0061 0.0061
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0047 0.0061 1
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0047 0.0061 1
Loa Loa (eye worm) hypothetical protein 0.041 0.0636 0.0636
Echinococcus granulosus acetylcholinesterase 0.633 1 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0019 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.107 0.1679 0.1679
Onchocerca volvulus 0.0047 0.0061 0.036
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0027 0.003 0.003
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0039 0.0039
Plasmodium vivax SET domain protein, putative 0.0033 0.0039 0.5113
Schistosoma mansoni amine oxidase 0.0047 0.0061 0.0061
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0615 0.096 0.556
Loa Loa (eye worm) hypothetical protein 0.633 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.005 0.005
Schistosoma mansoni hypothetical protein 0.004 0.005 0.005
Brugia malayi SWIRM domain containing protein 0.0047 0.0061 0.0061
Brugia malayi hypothetical protein 0.0019 0.0017 0.0017
Brugia malayi Carboxylesterase family protein 0.633 1 1
Onchocerca volvulus 0.0027 0.003 0.0178
Leishmania major C-8 sterol isomerase-like protein 0.041 0.0636 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0039 0.0039
Schistosoma mansoni BC026374 protein (S09 family) 0.107 0.1679 0.1679
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0058 0.0058
Trichomonas vaginalis spcc417.12 protein, putative 0.107 0.1679 1
Echinococcus granulosus acetylcholinesterase 0.633 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.107 0.1679 0.1679
Echinococcus granulosus lysine specific histone demethylase 1A 0.0047 0.0061 0.0061
Echinococcus multilocularis protoporphyrinogen oxidase 0.0047 0.0061 0.0061
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0019 0.0017 0.0017
Trichomonas vaginalis set domain proteins, putative 0.0264 0.0404 0.233
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0039 0.0039
Chlamydia trachomatis protoporphyrinogen oxidase 0.0047 0.0061 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.107 0.1679 1
Brugia malayi Carboxylesterase family protein 0.107 0.1679 0.1679
Brugia malayi hypothetical protein 0.004 0.005 0.005
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.107 0.1679 0.1679
Entamoeba histolytica hypothetical protein 0.004 0.005 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0017 0.0017
Echinococcus multilocularis acetylcholinesterase 0.633 1 1
Brugia malayi hypothetical protein 0.0019 0.0017 0.0017
Schistosoma mansoni transcription factor LCR-F1 0.004 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0019 0.0017 0.0017
Brugia malayi hypothetical protein 0.0047 0.0061 0.0061
Schistosoma mansoni acetylcholinesterase 0.107 0.1679 0.1679
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0019 0.0017 0.0017
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0019 0.0017 0.0017
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0006 0.0006
Brugia malayi ERG2 and Sigma1 receptor like protein 0.041 0.0636 0.0636
Brugia malayi Carboxylesterase family protein 0.107 0.1679 0.1679
Brugia malayi aspartic protease BmAsp-1, identical 0.0019 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0047 0.0061 0.0061
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0039 0.5113
Loa Loa (eye worm) hypothetical protein 0.0047 0.0061 0.0061
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0047 0.0061 0.0061
Entamoeba histolytica hypothetical protein 0.004 0.005 0.5
Echinococcus multilocularis para nitrobenzyl esterase 0.107 0.1679 0.1679
Brugia malayi Pepsin A precursor 0.0019 0.0017 0.0017
Brugia malayi aspartic protease BmAsp-2, identical 0.0019 0.0017 0.0017
Trypanosoma cruzi C-8 sterol isomerase, putative 0.041 0.0636 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0061 0.0061
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0039 0.0039
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0027 0.003 0.003
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.633 1 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.0276 0.0276
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0006 0.0006
Schistosoma mansoni gliotactin 0.107 0.1679 0.1679
Onchocerca volvulus 0.107 0.1679 1
Echinococcus granulosus choline O acetyltransferase 0.0183 0.0276 0.0276
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0041 0.0052 0.0052
Trypanosoma cruzi UDP-galactopyranose mutase 0.0047 0.0061 0.0505
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.107 0.1679 0.1679
Brugia malayi Choline O-acetyltransferase 0.0183 0.0276 0.0276
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0019 0.0017 0.0017
Brugia malayi Pre-SET motif family protein 0.0033 0.0039 0.0039

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 32 % Inhibition of rat passive cutaneous anaphylaxis at 5.0 mg/kg dose after peroral administration ChEMBL. 7452677
Inhibition (functional) = 61 % Inhibition of rat passive cutaneous anaphylaxis at 1.0 mg/kg dose after intraperitoneal administration ChEMBL. 7452677
Inhibition (functional) = 100 % Inhibition of rat passive cutaneous anaphylaxis at 5.0 mg/kg dose after intraperitoneal administration ChEMBL. 7452677

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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