Detailed information for compound 1556596

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.46 | Formula: C24H24N2O
  • H donors: 1 H acceptors: 0 LogP: 5.7 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)c(c[nH]2)C(N(c1ccccc1)C)c1ccc(cc1)C
  • InChi: 1S/C24H24N2O/c1-17-9-11-18(12-10-17)24(26(2)19-7-5-4-6-8-19)22-16-25-23-14-13-20(27-3)15-21(22)23/h4-16,24-25H,1-3H3
  • InChiKey: KNBBFBWTFCAUNZ-UHFFFAOYSA-N  


Substructure search Similarity search

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
Toxoplasma gondii exonuclease III APE 0.002 0.0803 0.2788
Loa Loa (eye worm) hypothetical protein 0.0011 0.018 0.0243
Schistosoma mansoni nuclear hormone receptor 0.0011 0.018 0.018
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0603 0.2051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.018 0.0243
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.018 0.0243
Schistosoma mansoni ap endonuclease 0.002 0.0803 0.0803
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0803 0.2788
Echinococcus multilocularis Tetracycline resistance leader peptide, TetL 0.0009 0.0045 0.0164
Loa Loa (eye worm) hypothetical protein 0.0011 0.018 0.0243
Schistosoma mansoni type V p-type atpase isoform 0.0009 0.0045 0.0045
Brugia malayi Sodium/potassium-transporting ATPase alpha chain, putative 0.0009 0.0045 0.0061
Echinococcus granulosus cation transporting ATPase 13A3 0.0009 0.0045 0.0164
Loa Loa (eye worm) Na,K-ATPase alpha subunit 0.0009 0.0045 0.0061
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0299 0.0402
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.7425 1
Brugia malayi E1-E2 ATPase family protein 0.0009 0.0045 0.0061
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.018 0.0243
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0603 0.2051
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.018 0.0243
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.2763 1
Echinococcus multilocularis cation transporting atpase worm 0.0009 0.0045 0.0164
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.018 0.0243
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0017 0.0603 0.2051
Echinococcus granulosus phospholipid transporting ATPase IIB 0.0009 0.0045 0.0164
Plasmodium falciparum thioredoxin reductase 0.0048 0.2763 1
Brugia malayi MH2 domain containing protein 0.0116 0.7425 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.018 0.0653
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0803 0.2906
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0603 0.2051
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0803 0.2788
Loa Loa (eye worm) glutathione reductase 0.0048 0.2763 0.3722
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.018 0.0243
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0603 0.7356
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.018 0.0653
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.2763 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0603 0.2051
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0803 1
Echinococcus multilocularis cation transporting ATPase 13A1 0.0009 0.0045 0.0164
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0603 0.2051
Echinococcus multilocularis phospholipid transporting ATPase IIB 0.0009 0.0045 0.0164
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.018 0.018
Schistosoma mansoni cation-transporting atpase 13a1 (G-box binding protein) 0.0009 0.0045 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.018 0.0243
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.018 0.0653
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0803 0.2906
Brugia malayi hypothetical protein 0.009 0.559 0.753
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.018 0.0243
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.011 0.6998 0.892
Brugia malayi Probable cation-transporting ATPase C10C6.6 in chromosome IV 0.0009 0.0045 0.0061
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.018 0.018
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0803 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.018 0.018
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.018 0.0653
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.018 0.0243
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0017 0.0603 0.2051
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0603 0.7356
Onchocerca volvulus 0.0011 0.018 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0803 0.2788
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0803 1
Treponema pallidum NADH oxidase 0.0017 0.0603 0.7356
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.018 0.018
Echinococcus granulosus calcium transporting ATPase type 2C member 0.0009 0.0045 0.0164
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.018 0.0653
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0603 0.2051
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0603 0.2051
Mycobacterium tuberculosis Probable oxidoreductase 0.0122 0.784 1
Schistosoma mansoni ATPase 0.0009 0.0045 0.0045
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.018 0.0653
Echinococcus granulosus FTZ F1 alpha 0.0011 0.018 0.0653
Brugia malayi haloacid dehalogenase-like hydrolase family protein 0.0009 0.0045 0.0061
Mycobacterium tuberculosis Probable dehydrogenase 0.011 0.6998 0.892
Schistosoma mansoni cation-transporting ATPase 0.0009 0.0045 0.0045
Schistosoma mansoni phosphoserine phosphatase 0.0009 0.0045 0.0045
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0603 0.7356
Schistosoma mansoni ap endonuclease 0.002 0.0803 0.0803
Loa Loa (eye worm) hypothetical protein 0.0011 0.018 0.0243
Plasmodium vivax glutathione reductase, putative 0.0048 0.2763 1
Echinococcus multilocularis copper transporting ATPase 1 0.0009 0.0045 0.0164
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.2763 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0017 0.0603 0.2051
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.018 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0803 0.2788
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.018 0.0653
Brugia malayi Na,K-ATPase alpha subunit 0.0009 0.0045 0.0061
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.018 0.0243
Mycobacterium tuberculosis Putative ferredoxin reductase 0.011 0.6998 0.892
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.018 0.0653
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0017 0.0603 0.0715
Loa Loa (eye worm) hypothetical protein 0.0011 0.018 0.0243
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0803 0.1082
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0803 0.2788
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.018 0.0653
Plasmodium falciparum thioredoxin reductase 0.0017 0.0603 0.2051
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0603 0.2051
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.018 0.0243
Leishmania major trypanothione reductase 0.0048 0.2763 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.018 0.0653
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0603 0.2051
Schistosoma mansoni copper ABC transporter ATPase 0.0009 0.0045 0.0045
Brugia malayi Thioredoxin reductase 0.0048 0.2763 0.3722
Brugia malayi nuclear hormone receptor 0.0011 0.018 0.0243
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0603 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.018 0.0243
Echinococcus multilocularis phosphoserine phosphatase 0.0009 0.0045 0.0164
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0803 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0803 0.1082
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0603 0.2051
Mycobacterium tuberculosis Probable reductase 0.011 0.6998 0.892
Loa Loa (eye worm) hypothetical protein 0.009 0.559 0.753
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.018 0.018
Schistosoma mansoni atpase class VI type 11c 0.0009 0.0045 0.0045
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0603 0.2051
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.018 0.0653
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0603 0.7356
Loa Loa (eye worm) hypothetical protein 0.0009 0.0045 0.0061
Brugia malayi potential phospholipid-transporting ATPase IIB, putative 0.0009 0.0045 0.0061
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.018 0.018
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.018 0.0243
Toxoplasma gondii NADPH-glutathione reductase 0.0017 0.0603 0.2051
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.018 0.0243
Brugia malayi glutathione reductase 0.0048 0.2763 0.3722
Brugia malayi ecdysteroid receptor 0.0011 0.018 0.0243
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.018 0.0243
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0122 0.784 1
Echinococcus multilocularis sarco:endoplasmic reticulum calcium ATPase 0.0009 0.0045 0.0164
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.018 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.018 0.0243
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0017 0.0603 0.2051
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0122 0.784 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.018 0.0243
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0299 0.0402
Echinococcus granulosus cation transporting ATPase 13A1 0.0009 0.0045 0.0164
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0603 0.0812
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.018 0.0653
Schistosoma mansoni cation-transporting atpase worm 0.0009 0.0045 0.0045
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0122 0.784 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0603 0.2181
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0603 0.2051
Brugia malayi steroid hormone receptor 0.0011 0.018 0.0243
Echinococcus multilocularis phospholipid transporting ATPase VA 0.0009 0.0045 0.0164
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.2763 0.3722
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.018 0.018
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.2763 1
Loa Loa (eye worm) E1-E2 ATPase 0.0009 0.0045 0.0061
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.018 0.0243
Schistosoma mansoni ATPase 0.0009 0.0045 0.0045
Brugia malayi nuclear receptor NHR-88 0.0011 0.018 0.0243
Echinococcus multilocularis phosphoserine phosphatase 0.0009 0.0045 0.0164
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.018 0.0243
Schistosoma mansoni coup transcription factor 0.0011 0.018 0.018
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.018 0.0243
Echinococcus multilocularis phosphoserine phosphatase 0.0009 0.0045 0.0164
Echinococcus granulosus phospholipid transporting ATPase VA 0.0009 0.0045 0.0164
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0017 0.0603 0.2051
Loa Loa (eye worm) hypothetical protein 0.0009 0.0045 0.0061
Echinococcus granulosus sarco:endoplasmic reticulum calcium ATPase 0.0009 0.0045 0.0164
Loa Loa (eye worm) hypothetical protein 0.0009 0.0045 0.0061
Brugia malayi hypothetical protein 0.0009 0.0045 0.0061
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.018 0.018
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0803 0.0972
Loa Loa (eye worm) sodium/potassium-transporting ATPase subunit alpha 0.0009 0.0045 0.0061
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.018 0.0653
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.011 0.6998 0.892
Loa Loa (eye worm) hypothetical protein 0.0009 0.0045 0.0061
Plasmodium falciparum glutathione reductase 0.0048 0.2763 1
Toxoplasma gondii thioredoxin reductase 0.0048 0.2763 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0603 0.2181
Loa Loa (eye worm) hypothetical protein 0.0011 0.018 0.0243
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.018 0.0243
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.2763 0.3487
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.018 0.0243
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.018 0.0653
Schistosoma mansoni Na+/K+ transporting ATPase subunit alpha 0.0009 0.0045 0.0045
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0803 0.2788
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0603 0.7356
Echinococcus granulosus cation transporting atpase worm 0.0009 0.0045 0.0164
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.011 0.6998 0.892
Loa Loa (eye worm) hypothetical protein 0.009 0.559 0.753
Loa Loa (eye worm) hypothetical protein 0.0009 0.0045 0.0061
Schistosoma mansoni cation-transporting atpase worm 0.0009 0.0045 0.0045
Plasmodium falciparum glutathione reductase 0.0017 0.0603 0.2051
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.018 0.018
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.018 0.018
Echinococcus multilocularis calcium transporting ATPase type 2C member 0.0009 0.0045 0.0164
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.018 0.0653
Schistosoma mansoni eyes absent homolog 0.009 0.559 0.559
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0603 0.2051
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0603 0.7356
Brugia malayi E1-E2 ATPase family protein 0.0009 0.0045 0.0061
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.018 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0603 0.2051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.018 0.0243
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0603 0.2051
Loa Loa (eye worm) calcium ATPase 0.0009 0.0045 0.0061
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.018 0.0653
Echinococcus multilocularis phosphoserine phosphatase 0.0009 0.0045 0.0164
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0603 0.2051
Schistosoma mansoni thyroid hormone receptor 0.0011 0.018 0.018
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0603 0.0603
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0803 1
Echinococcus multilocularis phosphoserine phosphatase 0.0009 0.0045 0.0164
Trypanosoma brucei trypanothione reductase 0.0048 0.2763 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.018 0.0243
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.018 0.0653
Echinococcus granulosus plasma membrane calcium transporting ATPase 2 0.0009 0.0045 0.0164
Echinococcus multilocularis cation transporting ATPase 13A3 0.0009 0.0045 0.0164
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.7425 1
Echinococcus granulosus copper transporting ATPase 1 0.0009 0.0045 0.0164
Echinococcus multilocularis phosphoserine phosphatase 0.0009 0.0045 0.0164
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.018 0.0243
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0803 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0603 0.2051
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.011 0.6998 0.892
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.018 0.0243
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0803 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.018 0.0243

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 150 uM Inhibition of c-Src using AEEEIYGEFEAKKKK substrate by fluorescence intensity assay ChEMBL. 21612925
Inhibition (functional) = 70 % Anticancer activity against human SKOV3 cells assessed as inhibition of cell proliferation at 50 uM after 72 hrs relative to control ChEMBL. 21612925
Inhibition (functional) = 70 % Anticancer activity against human HT-29 cells assessed as inhibition of cell proliferation at 50 uM after 72 hrs relative to control ChEMBL. 21612925

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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