Detailed information for compound 1604694

Basic information

Technical information
  • TDR Targets ID: 1604694
  • Name: 1-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)ethan one
  • MW: 240.257 | Formula: C14H12N2O2
  • H donors: 1 H acceptors: 2 LogP: 2.31 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)[nH]c1c2ccnc1C(=O)C
  • InChi: 1S/C14H12N2O2/c1-8(17)13-14-11(5-6-15-13)10-4-3-9(18-2)7-12(10)16-14/h3-7,16H,1-2H3
  • InChiKey: SNGVLDNQSXBDPZ-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(7-methoxy-9H-$b-carbolin-1-yl)ethanone
  • 62230-10-8

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 Neurotransmitter-gated ion-channel transmembrane region family protein 0.0027 0.1276 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0027 0.1276 0.1276
Echinococcus granulosus Cys loop ligand gated ion channel subunit 0.0027 0.1276 0.1276
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.1276 1
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0027 0.1276 0.1276
Loa Loa (eye worm) hypothetical protein 0.0014 0.0183 0.1438
Loa Loa (eye worm) hypothetical protein 0.0014 0.0183 0.1438
Schistosoma mansoni nAChR subunit 0.0027 0.1276 0.1276
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0027 0.1276 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0014 0.0183 0.1438
Echinococcus multilocularis nAChR subunit 0.0014 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Echinococcus granulosus glycine receptor subunit beta 0.0027 0.1276 0.1276
Echinococcus granulosus nicotinic acetylcholine receptor subunit type 0.0027 0.1276 0.1276
Brugia malayi Cation transporter family protein 0.0027 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0183 0.1438
Echinococcus multilocularis glycine receptor subunit beta 0.0027 0.1276 0.1276
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0027 0.1276 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0014 0.0183 0.0183
Echinococcus multilocularis nAChR subunit 0.0027 0.1276 0.1276
Schistosoma mansoni nicotinic acetylcholine receptor alpha 0.0014 0.0183 0.0183
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0027 0.1276 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0027 0.1276 1
Echinococcus granulosus nicotinic acetylcholine receptor beta 1 subunit 0.0027 0.1276 0.1276
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0027 0.1276 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0027 0.1276 0.1276
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0027 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Schistosoma mansoni nAChR subunit (ShAR1-beta2-like) 0.0027 0.1276 0.1276
Echinococcus granulosus glycine receptor subunit alpha 1 0.0027 0.1276 0.1276
Onchocerca volvulus 0.0027 0.1276 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0027 0.1276 1
Schistosoma mansoni nAChR subunit 0.0027 0.1276 0.1276
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0027 0.1276 1
Echinococcus granulosus glycine receptor subunit beta 0.0027 0.1276 0.1276
Echinococcus multilocularis calcium:calmodulin dependent protein kinase I 0.0124 0.9996 0.9996
Schistosoma mansoni neurotransmitter gated ion channel 0.0014 0.0183 0.0183
Onchocerca volvulus 0.0027 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0183 0.1438
Entamoeba histolytica protein kinase, putative 0.0124 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.1276 1
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0027 0.1276 1
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0027 0.1276 1
Echinococcus multilocularis nicotinic acetylcholine receptor a11 subunit 0.0027 0.1276 0.1276
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Loa Loa (eye worm) ACC-1 protein 0.0027 0.1276 1
Echinococcus granulosus nAChR subunit 0.0027 0.1276 0.1276
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0027 0.1276 0.1276
Schistosoma mansoni nAChR subunit 0.0027 0.1276 0.1276
Onchocerca volvulus 0.0027 0.1276 1
Schistosoma mansoni nAChR subunit 0.0027 0.1276 0.1276
Loa Loa (eye worm) hypothetical protein 0.0014 0.0183 0.1438
Loa Loa (eye worm) hypothetical protein 0.0014 0.0183 0.1438
Loa Loa (eye worm) LGC-31 protein 0.0027 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Echinococcus granulosus nAChR subunit 0.0014 0.0183 0.0183
Schistosoma mansoni nAChR subunit 0.0027 0.1276 0.1276
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0027 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Echinococcus granulosus nicotinic acetylcholine receptor a11 subunit 0.0027 0.1276 0.1276
Loa Loa (eye worm) hypothetical protein 0.0014 0.0183 0.1438
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Onchocerca volvulus 0.0027 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Brugia malayi Cation transporter family protein 0.0027 0.1276 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0027 0.1276 0.1276
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0027 0.1276 1
Echinococcus multilocularis glycine receptor subunit alpha 1 0.0027 0.1276 0.1276
Onchocerca volvulus 0.0014 0.0183 0.1438
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0027 0.1276 1
Echinococcus multilocularis nicotinic acetylcholine receptor alpha subunit 0.0027 0.1276 0.1276
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Brugia malayi Cation transporter family protein 0.0027 0.1276 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0014 0.0183 0.1438
Echinococcus multilocularis neuronal acetylcholine receptor subunit alpha 4 0.0027 0.1276 0.1276
Echinococcus granulosus acetylcholine receptor subunit beta 1 0.0027 0.1276 0.1276
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0027 0.1276 0.1276
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0027 0.1276 0.1276
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0027 0.1276 1
Echinococcus multilocularis nicotinic acetylcholine receptor beta 1 subunit 0.0027 0.1276 0.1276
Echinococcus multilocularis acetylcholine receptor subunit beta 1 0.0027 0.1276 0.1276
Schistosoma mansoni nAChR subunit 0.0027 0.1276 0.1276
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Loa Loa (eye worm) ACC-1 protein 0.0027 0.1276 1
Brugia malayi glutamate-gated chloride channel alpha3A subunit, putative 0.0014 0.0183 0.1438
Loa Loa (eye worm) hypothetical protein 0.0014 0.0183 0.1438
Echinococcus multilocularis Cys loop ligand gated ion channel subunit 0.0027 0.1276 0.1276
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0014 0.0183 0.1438
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Loa Loa (eye worm) GABA receptor subunit 0.0014 0.0183 0.1438
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.1276 1
Echinococcus granulosus calcium:calmodulin dependent protein kinase I 0.0124 0.9996 0.9996
Entamoeba histolytica protein kinase, putative 0.0124 1 1
Onchocerca volvulus 0.0027 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0183 0.1438
Echinococcus granulosus neuronal acetylcholine receptor subunit alpha 4 0.0027 0.1276 0.1276
Echinococcus multilocularis glycine receptor subunit beta 0.0027 0.1276 0.1276
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0027 0.1276 1
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0027 0.1276 1
Onchocerca volvulus 0.0014 0.0183 0.1438
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.1276 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Echinococcus multilocularis nicotinic acetylcholine receptor subunit alpha 8 0.0027 0.1276 0.1276
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Echinococcus granulosus glycine receptor subunit alpha 1 0.0027 0.1276 0.1276
Schistosoma mansoni serine/threonine protein kinase 0.0124 1 1
Schistosoma mansoni nAChR subunit 0.0027 0.1276 0.1276
Echinococcus granulosus nicotinic acetylcholine receptor alpha subunit 0.0027 0.1276 0.1276
Loa Loa (eye worm) hypothetical protein 0.0027 0.1276 1
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0124 1 1
Onchocerca volvulus 0.0027 0.1276 1
Schistosoma mansoni Cys-loop ligand gated ion channel subunit 0.0027 0.1276 0.1276
Onchocerca volvulus Putative nachr subunit 0.0027 0.1276 1
Echinococcus granulosus nicotinic acetylcholine receptor subunit alpha 8 0.0027 0.1276 0.1276

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 40 uM Cytotoxicity against human HL60 cells after 48 hrs by MTT assay ChEMBL. 22342628
IC50 (functional) > 40 uM Cytotoxicity against human SMMC7721 cells after 48 hrs by MTT assay ChEMBL. 22342628
IC50 (functional) > 40 uM Cytotoxicity against human A549 cells after 48 hrs by MTT assay ChEMBL. 22342628
IC50 (functional) > 40 uM Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay ChEMBL. 22342628
IC50 (functional) > 40 uM Cytotoxicity against human SW480 cells after 48 hrs by MTT assay ChEMBL. 22342628

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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