Detailed information for compound 944014

Basic information

Technical information
  • TDR Targets ID: 944014
  • Name: 1H-indole-6-carbaldehyde
  • MW: 145.158 | Formula: C9H7NO
  • H donors: 1 H acceptors: 1 LogP: 1.51 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1ccc2c(c1)[nH]cc2
  • InChi: 1S/C9H7NO/c11-6-7-1-2-8-3-4-10-9(8)5-7/h1-6,10H
  • InChiKey: VSPBWOAEHQDXRD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1H-indole-6-carboxaldehyde
  • 1196-70-9
  • F2138G1
  • 6-Formylindole
  • ZINC02577867
  • BB_SC-4710
  • 632406_ALDRICH
  • Indole-6-carboxaldehyde

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 2, subfamily A, polypeptide 6 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi cytochrome P450 cytochrome P450, family 2, subfamily A, polypeptide 6 494 aa 485 aa 32.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Pre-SET motif family protein 0.0031 0.1065 0.1215
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0041 0.1471 0.1679
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0112 0.0129
Toxoplasma gondii kinesin motor domain-containing protein 0.0032 0.1097 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0588 1
Loa Loa (eye worm) kinesin-like protein KLP2 0.0032 0.1097 0.1252
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0005 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0008 0.0112 0.0127
Schistosoma mansoni ap endonuclease 0.002 0.0588 0.0682
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0112 0.0129
Schistosoma mansoni voltage-gated potassium channel 0.0008 0.0112 0.0129
Loa Loa (eye worm) hypothetical protein 0.0031 0.1065 0.1215
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0588 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0588 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.0112 0.0112
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.1627 0.1887
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.1065 0.1071
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0588 0.0591
Plasmodium vivax kinesin-5 0.0032 0.1097 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.1247 0.1424
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0041 0.1471 0.1679
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0588 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.1065 0.9706
Entamoeba histolytica kinesin, putative 0.0032 0.1097 1
Brugia malayi Pre-SET motif family protein 0.0219 0.8759 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0012 0.0267 0.0269
Echinococcus multilocularis kinesin family 1 0.0247 0.9942 1
Schistosoma mansoni voltage-gated potassium channel 0.0045 0.1627 0.1887
Toxoplasma gondii exonuclease III APE 0.002 0.0588 0.536
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0112 0.0129
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.0112 0.0112
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.1065 0.1071
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0012 0.0267 0.0305
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0112 0.0112
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0588 0.536
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0008 0.0112 0.0112
Schistosoma mansoni 60S ribosomal protein L21 0.0007 0.0043 0.005
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.1065 0.1071
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.1065 0.1235
Echinococcus granulosus kinesin family 1 0.0247 0.9942 1
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0008 0.0112 0.0112
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.1017 0.1023
Mycobacterium leprae Conserved hypothetical protein 0.0005 0 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.8759 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0588 0.536
Echinococcus multilocularis voltage gated potassium channel 0.0012 0.0267 0.0269
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0588 0.0591
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0588 0.0588
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0112 0.0112
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0588 0.0671
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0008 0.0112 0.0112
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0008 0.0112 0.0127
Plasmodium vivax SET domain protein, putative 0.0031 0.1065 0.9706
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0041 0.1471 0.1479
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0043 0.005
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0008 0.0112 0.0112
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0267 0.031
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.1065 0.1235
Onchocerca volvulus 0.0031 0.1065 0.1065
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0008 0.0112 0.0112
Echinococcus granulosus hyperpolarization activated cyclic 0.0008 0.0112 0.0112
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.1065 0.1235
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.1359 0.1359
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0008 0.0112 0.0112
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0039 0.1359 0.1359
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0588 0.0588
Loa Loa (eye worm) hypothetical protein 0.0012 0.0267 0.0305
Echinococcus granulosus voltage gated potassium channel 0.0012 0.0267 0.0269
Schistosoma mansoni voltage-gated potassium channel 0.0012 0.0267 0.031
Schistosoma mansoni hypothetical protein 0.0215 0.8621 1
Brugia malayi Cyclic-nucleotide gated cation channel 0.0008 0.0112 0.0127
Trichomonas vaginalis set domain proteins, putative 0.0249 1 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0588 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0012 0.0267 0.0269
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0588 0.536
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.1065 0.1235
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0008 0.0112 0.0129
Brugia malayi Kinesin motor domain containing protein 0.0032 0.1097 0.1252
Giardia lamblia Kinesin-5 0.0032 0.1097 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0008 0.0112 0.0129
Echinococcus multilocularis hyperpolarization activated cyclic 0.0008 0.0112 0.0112
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0588 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0588 0.0671
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0008 0.0112 0.0127
Schistosoma mansoni kinesin eg-5 0.0032 0.1097 0.1272
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0588 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0008 0.0112 0.0112
Plasmodium falciparum kinesin-5 0.0032 0.1097 1
Schistosoma mansoni ap endonuclease 0.002 0.0588 0.0682
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0041 0.1471 0.1479

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.5 uM Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate preincubated for 10 mins by fluorescence assay ChEMBL. 25458499
Inhibition (binding) Inhibition of human CYP2A6 in baculovirus-infected insect cell system using coumarin 7 as substrate incubated for 30 mins prior to substrate addition measured after 10 mins by fluorescence assay ChEMBL. 25458499

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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