Detailed information for compound 1584034

Basic information

Technical information
  • TDR Targets ID: 1584034
  • Name: Quinoline-4-carbaldehyde
  • MW: 157.169 | Formula: C10H7NO
  • H donors: 0 H acceptors: 2 LogP: 1.65 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1ccnc2c1cccc2
  • InChi: 1S/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7H
  • InChiKey: MGCGJBXTNWUHQE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-Quinolinecarboxaldehyde
  • Cinchoninaldehyde
  • 4363-93-3
  • EINECS 224-453-0
  • ZINC00158607
  • AI3-52674
  • 176966_ALDRICH
  • NSC1213
  • Quinoline-4-carboxaldehyde
  • 22665_FLUKA
  • SBB004008

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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2636 0.9606
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.2744 0.2985
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.2636 0.338
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0274 0.0351
Plasmodium falciparum glutathione reductase 0.0048 0.2744 1
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0578 0.5
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.699 0.8837
Plasmodium falciparum thioredoxin reductase 0.0048 0.2744 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0578 0.0742
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0274 0.0351
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.699 0.8837
Leishmania major trypanothione reductase 0.0048 0.2744 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.7834 1
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0578 0.5
Treponema pallidum NADH oxidase 0.0017 0.0578 0.5
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.2744 0.3519
Toxoplasma gondii thioredoxin reductase 0.0048 0.2744 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.2636 0.338
Trypanosoma brucei trypanothione reductase 0.0048 0.2744 1
Plasmodium vivax glutathione reductase, putative 0.0048 0.2744 1
Brugia malayi glutathione reductase 0.0048 0.2744 0.3519
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2636 0.2636
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0578 0.5
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0578 0.0578
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.7834 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0121 0.7798 1
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.2744 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2636 0.9606
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0578 0.5
Brugia malayi Thioredoxin reductase 0.0048 0.2744 0.3519
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.7834 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.2636 0.9606
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2636 0.2636
Brugia malayi MH2 domain containing protein 0.0121 0.7798 1
Mycobacterium tuberculosis Probable reductase 0.0109 0.699 0.8837
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.7834 1
Loa Loa (eye worm) glutathione reductase 0.0048 0.2744 0.3519
Loa Loa (eye worm) transcription factor SMAD2 0.0121 0.7798 1
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0578 0.5
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.2744 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.2744 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0578 0.2108
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0578 0.2108
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0578 0.5
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.699 0.8837
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0578 0.5
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0578 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.2636 0.2636
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.699 0.8837
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0578 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.699 0.8837
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.2636 0.9606
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.2744 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

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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