Detailed information for compound 1538816

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 355.429 | Formula: C24H21NO2
  • H donors: 0 H acceptors: 1 LogP: 4.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1cc(CN(Cc2ccccc2)Cc2ccccc2)c2c(o1)cccc2
  • InChi: 1S/C24H21NO2/c26-24-15-21(22-13-7-8-14-23(22)27-24)18-25(16-19-9-3-1-4-10-19)17-20-11-5-2-6-12-20/h1-15H,16-18H2
  • InChiKey: PEEKMBOZPKILFP-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0039 0.0265 0.0369
Schistosoma mansoni protein phosphatase-2b 0.0041 0.0289 0.0678
Loa Loa (eye worm) hypothetical protein 0.0037 0.0238 0.1219
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1359 0.3195
Trypanosoma brucei protein phosphatase 2B, putative 0.0041 0.0289 0.9082
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Schistosoma mansoni protein phosphatase-2b 0.0041 0.0289 0.0678
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
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
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0573 0.714 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0129 0.0179
Schistosoma mansoni hypothetical protein 0.0037 0.0238 0.0557
Echinococcus multilocularis muscleblind protein 1 0.0167 0.1918 0.1917
Loa Loa (eye worm) hypothetical protein 0.0041 0.0289 0.1484
Trypanosoma cruzi serine/threonine protein phosphatase, putative 0.0041 0.0289 0.9082
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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1602 0.3767
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0039 0.0265 0.0369
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0039 0.0265 0.0369
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0001 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0129 0.0657
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
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
Plasmodium vivax serine/threonine protein phosphatase 2B catalytic subunit A, putative 0.0041 0.0289 0.0404
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0532 0.1249
Loa Loa (eye worm) hypothetical protein 0.0025 0.0093 0.047
Echinococcus granulosus lamin dm0 0.0053 0.0443 0.104
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0532 0.0743
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0039 0.0265 0.0369
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Schistosoma mansoni dihydropteridine reductase 0.0039 0.0265 0.0621
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0041 0.0289 1
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
Trypanosoma brucei oxidoreductase-like protein 0.0043 0.0318 1
Echinococcus granulosus intermediate filament protein 0.0053 0.0443 0.104
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0039 0.0265 0.9155
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0143 0.1602 0.8245
Echinococcus granulosus serine:threonine protein phosphatase 2B 0.0041 0.0289 0.0678
Mycobacterium tuberculosis Probable dehydrogenase/reductase 0.0039 0.0265 0.0369
Loa Loa (eye worm) hypothetical protein 0.0039 0.0265 0.1358
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Mycobacterium tuberculosis Possible oxidoreductase 0.0039 0.0265 0.0369
Onchocerca volvulus 0.0169 0.1943 1
Echinococcus granulosus GPCR family 2 0.0037 0.0238 0.0557
Echinococcus multilocularis tar DNA binding protein 0.0124 0.1359 0.1358
Trypanosoma brucei pteridine reductase 1 0.0039 0.0265 0.8314
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0039 0.0265 0.0369
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0532 1
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 20-beta-hydroxysteroid dehydrogenase FabG3 0.0039 0.0265 0.0369
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0532 0.1249
Brugia malayi Calcitonin receptor-like protein seb-1 0.0116 0.1258 0.6477
Mycobacterium ulcerans 3-alpha-hydroxysteroid dehydrogenase 0.0043 0.0318 0.0444
Entamoeba histolytica Ser/Thr protein phosphatase, putative 0.0041 0.0289 1
Loa Loa (eye worm) intermediate filament protein 0.0053 0.0443 0.2276
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 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
Brugia malayi cytoplasmic intermediate filament protein 0.0028 0.0129 0.0662
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0573 0.714 1
Echinococcus granulosus muscleblind protein 0.0167 0.1918 0.451
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.1602 0.3767
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0129 0.4018
Brugia malayi Serine/threonine protein phosphatase 2B catalytic subunit 2 0.0041 0.0289 0.1489
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
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 0.0039 0.0265 0.0369
Schistosoma mansoni hypothetical protein 0.0079 0.0786 0.1847
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0053 0.0443 0.2276
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0532 0.0743
Loa Loa (eye worm) hypothetical protein 0.0053 0.0443 0.2276
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
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 ulcerans short chain dehydrogenase 0.0043 0.0318 0.0444
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0143 0.1602 0.3767
Brugia malayi Latrophilin receptor protein 2 0.0037 0.0238 0.1224
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0039 0.0265 0.497
Loa Loa (eye worm) oxidoreductase 0.0039 0.0265 0.1358
Schistosoma mansoni hypothetical protein 0.0037 0.0238 0.0557
Echinococcus granulosus lamin 0.0053 0.0443 0.104
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0129 0.0179
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0039 0.0265 0.497
Entamoeba histolytica Ser/Thr protein phosphatase, putative 0.0041 0.0289 1
Echinococcus granulosus geminin 0.0349 0.425 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.162 0.8338
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
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 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
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
Loa Loa (eye worm) hypothetical protein 0.0169 0.1943 1
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0039 0.0265 0.0369
Schistosoma mansoni hypothetical protein 0.0037 0.0238 0.0557
Mycobacterium tuberculosis Probable oxidoreductase 0.0043 0.0318 0.0444
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0143 0.1602 0.3767
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0141 0.1579 0.1578
Brugia malayi Intermediate filament tail domain containing protein 0.0053 0.0443 0.2281
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1359 0.3195
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0028 0.0129 0.0655
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0039 0.0265 0.1358
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0116 0.1258 0.6477
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
Mycobacterium ulcerans short chain dehydrogenase 0.0039 0.0265 0.0369
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0041 0.0289 1
Echinococcus multilocularis lamin 0.0053 0.0443 0.0442
Loa Loa (eye worm) retinol dehydrogenase 12 0.0039 0.0265 0.1358
Loa Loa (eye worm) hypothetical protein 0.004 0.0282 0.1446
Entamoeba histolytica calcineurin catalytic subunit A, putative 0.0041 0.0289 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0001 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0532 0.0531
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0039 0.0265 0.0621
Loa Loa (eye worm) hypothetical protein 0.0052 0.0431 0.2212
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
Brugia malayi hypothetical protein 0.0028 0.0129 0.0663
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1359 0.3195
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0573 0.714 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0043 0.0318 0.0444
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0143 0.1602 0.1601
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
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0039 0.0265 0.8314
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0037 0.0238 0.1224
Mycobacterium ulcerans 3-ketoacyl-ACP reductase 0.0039 0.0265 0.0369
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0037 0.0238 0.0237
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0043 0.0318 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0532 0.0743
Schistosoma mansoni tar DNA-binding protein 0.0124 0.1359 0.3195
Echinococcus multilocularis musashi 0.0053 0.0443 0.0442
Onchocerca volvulus 0.0053 0.0443 0.1062
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0043 0.0318 0.0444
Loa Loa (eye worm) RNA binding protein 0.0124 0.1359 0.6994
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0532 0.0743
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0573 0.714 1
Echinococcus granulosus tar DNA binding protein 0.0124 0.1359 0.3195
Echinococcus multilocularis geminin 0.0349 0.425 0.425
Leishmania major oxidoreductase-like protein 0.0043 0.0318 0.5978
Mycobacterium ulcerans 3-oxoacyl-ACP reductase 0.0039 0.0265 0.0369
Schistosoma mansoni hypothetical protein 0.0349 0.425 1
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0129 0.4018
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0039 0.0265 0.1364
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
Loa Loa (eye worm) hypothetical protein 0.0167 0.1918 0.9872
Echinococcus multilocularis serine:threonine protein phosphatase 2B 0.0041 0.0289 0.0288
Echinococcus multilocularis GPCR, family 2 0.0037 0.0238 0.0237
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0573 0.714 1
Schistosoma mansoni lamin 0.0053 0.0443 0.104
Loa Loa (eye worm) hypothetical protein 0.0079 0.0786 0.4042
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0141 0.1579 0.3714
Loa Loa (eye worm) hypothetical protein 0.0024 0.008 0.0406
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0532 0.0743
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
Mycobacterium tuberculosis Possible oxidoreductase 0.0039 0.0265 0.0369
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0124 0.1359 0.6994
Leishmania major serine/threonine protein phosphatase, putative 0.0041 0.0289 0.5429
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0001 0.0006
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0025 0.0093 0.0215
Loa Loa (eye worm) TAR-binding protein 0.0124 0.1359 0.6994
Wolbachia endosymbiont of Brugia malayi Short-chain alcohol dehydrogenase family enzyme 0.0039 0.0265 0.0369
Brugia malayi hypothetical protein 0.0169 0.1943 1
Schistosoma mansoni hypothetical protein 0.0037 0.0238 0.0557
Trypanosoma cruzi serine/threonine protein phosphatase, putative 0.0041 0.0289 0.9082
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0532 0.1249
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Brugia malayi RNA recognition motif domain containing protein 0.0124 0.1359 0.6996
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0039 0.0265 0.0264
Leishmania major hypothetical protein, conserved 0.0028 0.0129 0.2402
Loa Loa (eye worm) latrophilin receptor protein 2 0.0037 0.0238 0.1219
Onchocerca volvulus 0.0043 0.0318 0.0319
Onchocerca volvulus 0.0053 0.0443 0.1062
Loa Loa (eye worm) hypothetical protein 0.0024 0.008 0.0406
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0039 0.0265 0.0369
Echinococcus multilocularis muscleblind protein 0.0167 0.1918 0.1917
Plasmodium falciparum enoyl-acyl carrier reductase 0.0573 0.714 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.1918 0.9872
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0116 0.1258 0.6474
Mycobacterium ulcerans oxidoreductase 0.0039 0.0265 0.0369
Brugia malayi RNA binding protein 0.0124 0.1359 0.6996
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0043 0.0318 0.0444
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0129 0.4018
Mycobacterium tuberculosis Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase) 0.0039 0.0265 0.0369
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

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference

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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