Detailed information for compound 1539163

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 279.333 | Formula: C18H17NO2
  • H donors: 0 H acceptors: 1 LogP: 2.79 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(Cc1cc(=O)oc2c1cccc2)Cc1ccccc1
  • InChi: 1S/C18H17NO2/c1-19(12-14-7-3-2-4-8-14)13-15-11-18(20)21-17-10-6-5-9-16(15)17/h2-11H,12-13H2,1H3
  • InChiKey: IHQCJCALZYMEJH-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
Loa Loa (eye worm) hypothetical protein 0.0167 0.1918 0.9872
Leishmania major serine/threonine protein phosphatase 2B catalytic subunit A2, putative 0.0041 0.0289 0.5429
Schistosoma mansoni intermediate filament proteins 0.0053 0.0443 0.104
Echinococcus multilocularis serine:threonine protein phosphatase 2B 0.0041 0.0289 0.0288
Schistosoma mansoni hypothetical protein 0.0349 0.425 1
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0129 0.4018
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0039 0.0265 0.0369
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 0.0265 0.1364
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0141 0.1579 0.3714
Loa Loa (eye worm) hypothetical protein 0.0079 0.0786 0.4042
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0532 0.0743
Loa Loa (eye worm) hypothetical protein 0.0024 0.008 0.0406
Echinococcus multilocularis GPCR, family 2 0.0037 0.0238 0.0237
Schistosoma mansoni lamin 0.0053 0.0443 0.104
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0573 0.714 1
Mycobacterium tuberculosis Possible oxidoreductase 0.0039 0.0265 0.0369
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.162 0.8338
Echinococcus multilocularis thyroid hormone receptor alpha 0.0152 0.1725 0.1724
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0039 0.0265 0.0369
Loa Loa (eye worm) TAR-binding protein 0.0124 0.1359 0.6994
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0001 0.0006
Leishmania major serine/threonine protein phosphatase, putative 0.0041 0.0289 0.5429
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.1359 0.6994
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0025 0.0093 0.0215
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.1359 0.6996
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0532 0.1249
Loa Loa (eye worm) latrophilin receptor protein 2 0.0037 0.0238 0.1219
Leishmania major hypothetical protein, conserved 0.0028 0.0129 0.2402
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0039 0.0265 0.0264
Trypanosoma cruzi serine/threonine protein phosphatase, putative 0.0041 0.0289 0.9082
Schistosoma mansoni hypothetical protein 0.0037 0.0238 0.0557
Brugia malayi hypothetical protein 0.0169 0.1943 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Loa Loa (eye worm) hypothetical protein 0.0024 0.008 0.0406
Echinococcus multilocularis muscleblind protein 0.0167 0.1918 0.1917
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Onchocerca volvulus 0.0043 0.0318 0.0319
Onchocerca volvulus 0.0053 0.0443 0.1062
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0116 0.1258 0.6474
Loa Loa (eye worm) hypothetical protein 0.0167 0.1918 0.9872
Plasmodium falciparum enoyl-acyl carrier reductase 0.0573 0.714 1
Trichomonas vaginalis hypothetical protein 0.0573 0.714 1
Brugia malayi latrophilin 2 splice variant baaae 0.0079 0.0786 0.4046
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0025 0.0093 0.0091
Brugia malayi RNA binding protein 0.0124 0.1359 0.6996
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0129 0.4018
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0043 0.0318 0.0444
Mycobacterium ulcerans oxidoreductase 0.0039 0.0265 0.0369
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0039 0.0265 0.0369
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0141 0.1579 0.1578
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.0443 0.2281
Mycobacterium tuberculosis Probable oxidoreductase 0.0043 0.0318 0.0444
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.1602 0.3767
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0039 0.0265 0.8314
Brugia malayi intermediate filament protein 0.0053 0.0443 0.2281
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0041 0.0289 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0028 0.0129 0.0655
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1359 0.3195
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0116 0.1258 0.6477
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0039 0.0265 0.1358
Loa Loa (eye worm) hypothetical protein 0.004 0.0282 0.1446
Loa Loa (eye worm) retinol dehydrogenase 12 0.0039 0.0265 0.1358
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0001 0.5
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0041 0.0289 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Echinococcus multilocularis lamin 0.0053 0.0443 0.0442
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0041 0.0289 1
Plasmodium falciparum serine/threonine protein phosphatase 2B catalytic subunit A 0.0041 0.0289 0.0404
Mycobacterium tuberculosis Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase) 0.0039 0.0265 0.0369
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0532 0.0531
Loa Loa (eye worm) hypothetical protein 0.0052 0.0431 0.2212
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0039 0.0265 0.0621
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0043 0.0318 0.0444
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0573 0.714 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 0.0265 0.1364
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0039 0.0265 0.0369
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0039 0.0265 0.8314
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.1602 0.1601
Brugia malayi hypothetical protein 0.0028 0.0129 0.0663
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1359 0.3195
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0037 0.0238 0.0237
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0039 0.0265 0.0369
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0037 0.0238 0.1224
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0043 0.0318 0.0444
Echinococcus multilocularis musashi 0.0053 0.0443 0.0442
Onchocerca volvulus 0.0053 0.0443 0.1062
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0532 0.0743
Loa Loa (eye worm) RNA binding protein 0.0124 0.1359 0.6994
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0043 0.0318 1
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1359 0.3195
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0532 0.0743
Echinococcus multilocularis geminin 0.0349 0.425 0.425
Echinococcus granulosus tar DNA binding protein 0.0124 0.1359 0.3195
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0573 0.714 1
Leishmania major oxidoreductase-like protein 0.0043 0.0318 0.5978
Echinococcus granulosus GPCR family 2 0.0037 0.0238 0.0557
Echinococcus multilocularis tar DNA binding protein 0.0124 0.1359 0.1358
Loa Loa (eye worm) hypothetical protein 0.0039 0.0265 0.1358
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0039 0.0265 0.0369
Onchocerca volvulus 0.0169 0.1943 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Mycobacterium tuberculosis Possible oxidoreductase 0.0039 0.0265 0.0369
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0043 0.0318 0.0444
Entamoeba histolytica Ser/Thr protein phosphatase, putative 0.0041 0.0289 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0116 0.1258 0.6477
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0532 1
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0039 0.0265 0.0369
Trypanosoma brucei pteridine reductase 1 0.0039 0.0265 0.8314
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0532 0.1249
Mycobacterium ulcerans 20-beta-hydroxysteroid dehydrogenase FabG3 0.0039 0.0265 0.0369
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0039 0.0265 0.0621
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0573 0.714 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0573 0.714 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.1602 0.3767
Echinococcus granulosus muscleblind protein 0.0167 0.1918 0.451
Brugia malayi cytoplasmic intermediate filament protein 0.0028 0.0129 0.0662
Brugia malayi TAR-binding protein 0.0124 0.1359 0.6996
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0039 0.0265 0.8314
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1602 0.3767
Schistosoma mansoni hypothetical protein 0.0349 0.425 1
Brugia malayi Serine/threonine protein phosphatase 2B catalytic subunit 2 0.0041 0.0289 0.1489
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0129 0.4018
Loa Loa (eye worm) intermediate filament protein 0.0053 0.0443 0.2276
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Schistosoma mansoni hypothetical protein 0.0079 0.0786 0.1847
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0532 0.0743
Loa Loa (eye worm) hypothetical protein 0.0053 0.0443 0.2276
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.0443 0.2276
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.1602 0.1601
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Trypanosoma cruzi serine/threonine protein phosphatase 2B catalytic subunit A2, putative 0.0041 0.0289 0.9082
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Mycobacterium ulcerans short chain dehydrogenase 0.0043 0.0318 0.0444
Leishmania major pteridine reductase 1 0.0043 0.0318 0.5978
Toxoplasma gondii protein phosphatase 2B catalytic subunit, calcineurin family phosphatse superfamily protein 0.0041 0.0289 0.0404
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Loa Loa (eye worm) oxidoreductase 0.0039 0.0265 0.1358
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0039 0.0265 0.497
Brugia malayi Latrophilin receptor protein 2 0.0037 0.0238 0.1224
Schistosoma mansoni hypothetical protein 0.0037 0.0238 0.0557
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1602 0.3767
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0039 0.0265 0.0369
Schistosoma mansoni thyroid hormone receptor 0.0152 0.1725 0.4057
Schistosoma mansoni thyroid hormone receptor 0.0152 0.1725 0.4057
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0129 0.0179
Entamoeba histolytica Ser/Thr protein phosphatase, putative 0.0041 0.0289 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0039 0.0265 0.497
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0129 0.0179
Echinococcus granulosus lamin 0.0053 0.0443 0.104
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.162 0.8338
Echinococcus granulosus geminin 0.0349 0.425 1
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0039 0.0265 0.0369
Loa Loa (eye worm) hypothetical protein 0.0169 0.1943 1
Schistosoma mansoni hypothetical protein 0.0037 0.0238 0.0557
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0573 0.714 1
Echinococcus multilocularis lamin dm0 0.0053 0.0443 0.0442
Schistosoma mansoni lamin 0.0053 0.0443 0.104
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0037 0.0238 0.0557
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1359 0.3195
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0129 0.0179
Loa Loa (eye worm) hypothetical protein 0.0116 0.1258 0.6474
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1359 0.3195
Trypanosoma brucei protein phosphatase 2B, putative 0.0041 0.0289 0.9082
Loa Loa (eye worm) hypothetical protein 0.0037 0.0238 0.1219
Schistosoma mansoni protein phosphatase-2b 0.0041 0.0289 0.0678
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0039 0.0265 0.0369
Schistosoma mansoni protein phosphatase-2b 0.0041 0.0289 0.0678
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0129 0.0179
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0573 0.714 1
Echinococcus granulosus serine:threonine protein phosphatase 2B 0.0041 0.0289 0.0678
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0039 0.0265 0.0369
Brugia malayi Muscleblind-like protein 0.0167 0.1918 0.9872
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0143 0.1602 0.8244
Trypanosoma cruzi serine/threonine protein phosphatase, putative 0.0041 0.0289 0.9082
Loa Loa (eye worm) hypothetical protein 0.0041 0.0289 0.1484
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1602 0.3767
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0039 0.0265 0.0369
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0039 0.0265 0.0369
Schistosoma mansoni hypothetical protein 0.0141 0.1579 0.3714
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0037 0.0238 0.0237
Schistosoma mansoni hypothetical protein 0.0037 0.0238 0.0557
Echinococcus multilocularis muscleblind protein 1 0.0167 0.1918 0.1917
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0001 0.5
Plasmodium vivax serine/threonine protein phosphatase 2B catalytic subunit A, putative 0.0041 0.0289 0.0404
Loa Loa (eye worm) hypothetical protein 0.0028 0.0129 0.0657
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0039 0.0265 0.497
Echinococcus multilocularis serine:threonine protein phosphatase 2B 0.0041 0.0289 0.0288
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0039 0.0265 0.0369
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Loa Loa (eye worm) hypothetical protein 0.0025 0.0093 0.047
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0532 0.1249
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0532 0.0743
Echinococcus granulosus lamin dm0 0.0053 0.0443 0.104
Echinococcus granulosus intermediate filament protein 0.0053 0.0443 0.104
Trypanosoma brucei oxidoreductase-like protein 0.0043 0.0318 1
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0041 0.0289 1
Schistosoma mansoni dihydropteridine reductase 0.0039 0.0265 0.0621
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0037 0.0238 0.0557
Brugia malayi MH2 domain containing protein 0.0144 0.162 0.834
Echinococcus granulosus serine:threonine protein phosphatase 2B 0.0041 0.0289 0.0678
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0143 0.1602 0.8245
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0039 0.0265 0.9155

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 15.775 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) 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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