Detailed information for compound 810535

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 358.433 | Formula: C23H22N2O2
  • H donors: 1 H acceptors: 2 LogP: 4.25 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(c(c1)C)C)NCC1Cc2c(O1)c(ccc2)c1ccncc1
  • InChi: 1S/C23H22N2O2/c1-15-6-7-19(12-16(15)2)23(26)25-14-20-13-18-4-3-5-21(22(18)27-20)17-8-10-24-11-9-17/h3-12,20H,13-14H2,1-2H3,(H,25,26)
  • InChiKey: DNYLAQFQYYZGDY-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
Loa Loa (eye worm) cytochrome P450 family protein 0.0072 0.0393 0.0393
Toxoplasma gondii lactate dehydrogenase LDH2 0.0742 1 1
Leishmania major malate dehydrogenase, putative 0.0311 0.3815 0.3815
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0329 0.4074 0.9767
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.0694 0.0694
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0219 0.0219
Echinococcus multilocularis malate dehydrogenase 0.0329 0.4074 0.4074
Toxoplasma gondii malate dehydrogenase MDH 0.0742 1 1
Leishmania major mitochondrial malate dehydrogenase 0.0329 0.4074 0.4074
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0335 0.4171 1
Leishmania major malate dehydrogenase 0.0329 0.4074 0.4074
Schistosoma mansoni malate dehydrogenase 0.0335 0.4171 0.4171
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0219 0.0526
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Leishmania major glycosomal malate dehydrogenase 0.0329 0.4074 0.4074
Trichomonas vaginalis malate dehydrogenase, putative 0.0311 0.3815 0.9142
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0694 0.1617
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0335 0.4171 1
Schistosoma mansoni malate dehydrogenase 0.0335 0.4171 0.4171
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0219 0.0526
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.0694 0.5
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0335 0.4171 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0714 0.1713
Echinococcus granulosus L lactate dehydrogenase B chain 0.0742 1 1
Plasmodium falciparum malate dehydrogenase 0.0742 1 1
Mycobacterium ulcerans malate dehydrogenase 0.0335 0.4171 1
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0742 1 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.0579 0.1388
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0694 0.1617
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0219 0.0219
Schistosoma mansoni malate dehydrogenase 0.0329 0.4074 0.4074
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0256 0.0256
Schistosoma mansoni kinase 0.0047 0.0041 0.0041
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0335 0.4171 0.4171
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0335 0.4171 1
Entamoeba histolytica malate dehydrogenase, putative 0.0742 1 1
Leishmania major malate dehydrogenase, putative 0.0742 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Plasmodium falciparum L-lactate dehydrogenase 0.0742 1 1
Trypanosoma brucei malate dehydrogenase-related 0.0311 0.3815 0.9147
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) RNA binding protein 0.0062 0.0256 0.0256
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0256 0.0256
Brugia malayi TAR-binding protein 0.0062 0.0256 0.0256
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0742 1 0.5
Leishmania major cytosolic malate dehydrogenase 0.0335 0.4171 0.4171
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0219 0.0219
Brugia malayi Cytochrome P450 family protein 0.0072 0.0393 0.0393
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0072 0.0393 0.0941
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0694 0.1664
Brugia malayi RNA binding protein 0.0062 0.0256 0.0256
Echinococcus granulosus L lactate dehydrogenase 0.0432 0.5551 0.5551
Echinococcus granulosus malate dehydrogenase 0.0329 0.4074 0.4074
Toxoplasma gondii lactate dehydrogenase LDH1 0.0742 1 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.0579 0.1388
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.0579 0.1388
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.0579 0.1388
Entamoeba histolytica malate dehydrogenase, putative 0.0335 0.4171 0.3736
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0219 0.0526
Echinococcus granulosus malate dehydrogenase 0.0329 0.4074 0.4074
Echinococcus granulosus tar DNA binding protein 0.0062 0.0256 0.0256
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.0694 0.0694
Echinococcus multilocularis lactate dehydrogenase a 0.0742 1 1
Echinococcus granulosus cytosolic malate dehydrogenase 0.0335 0.4171 0.4171
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0219 0.0219
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0335 0.4171 0.4171
Echinococcus granulosus lactate dehydrogenase a 0.0742 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0714 0.1713
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.0694 0.0694
Echinococcus granulosus lactate dehydrogenase protein 0.0742 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0176 0.1889 0.4499
Leishmania major cytochrome p450-like protein 0.0072 0.0393 0.0393
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Trypanosoma brucei polo-like protein kinase 0.0093 0.0694 0.1664
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0219 0.0526
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0329 0.4074 0.9767
Loa Loa (eye worm) hypothetical protein 0.0742 1 1
Schistosoma mansoni malate dehydrogenase 0.0742 1 1
Giardia lamblia Malate dehydrogenase 0.0335 0.4171 1
Chlamydia trachomatis malate dehydrogenase 0.0335 0.4171 0.5
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Echinococcus multilocularis lactate dehydrogenase protein 0.0742 1 1
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0335 0.4171 0.3736
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0335 0.4171 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0219 0.0219
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0335 0.4171 0.4171
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0329 0.4074 0.9767
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0694 0.1664
Trypanosoma cruzi malate dehydrogenase, putative 0.0329 0.4074 0.9767
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0256 0.0256
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.0694 0.0694
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0694 0.1617
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.0579 0.1388
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0329 0.4074 0.9767
Echinococcus granulosus cytosolic malate dehydrogenase 0.0335 0.4171 0.4171
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0694 0.1617
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0694 0.1617
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0256 0.0256
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0335 0.4171 1
Echinococcus multilocularis L lactate dehydrogenase 0.0432 0.5551 0.5551
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) cytochrome P450 family protein 0.0104 0.0855 0.0855
Schistosoma mansoni L-lactate dehydrogenase 0.0742 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.0694 0.0694
Trypanosoma brucei glycosomal malate dehydrogenase 0.0329 0.4074 0.9767
Loa Loa (eye worm) malate dehydrogenase 0.0329 0.4074 0.4074
Loa Loa (eye worm) malate dehydrogenase 0.0335 0.4171 0.4171
Trypanosoma cruzi cytochrome P450, putative 0.0072 0.0393 0.0941
Schistosoma mansoni L-lactate dehydrogenase 0.0311 0.3815 0.3815
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0329 0.4074 0.4074
Trypanosoma cruzi malate dehydrogenase, putative 0.0311 0.3815 0.9147
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0256 0.0256
Echinococcus multilocularis lactate dehydrogenase a 0.0742 1 1
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0335 0.4171 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0714 0.1713
Plasmodium vivax malate dehydrogenase, putative 0.0742 1 1
Trypanosoma brucei cytochrome P450, putative 0.0072 0.0393 0.0941
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0694 0.1617
Brugia malayi Cytochrome P450 family protein 0.0072 0.0393 0.0393
Brugia malayi Cytochrome P450 family protein 0.0104 0.0855 0.0855
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Echinococcus granulosus lactate dehydrogenase a 0.0742 1 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0714 0.1713
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.0694 0.0694
Plasmodium vivax lactate dehydrogenase 0.0742 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0219 0.0219
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0335 0.4171 1
Trypanosoma brucei cytosolic malate dehydrogenase 0.0335 0.4171 1
Trypanosoma cruzi cytochrome P450, putative 0.0072 0.0393 0.0941
Echinococcus multilocularis lactate dehydrogenase a 0.0742 1 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.0579 0.1388
Mycobacterium tuberculosis Probable reductase 0.0085 0.0579 0.1388
Trichomonas vaginalis malate dehydrogenase, putative 0.0151 0.1533 0.3641
Echinococcus multilocularis malate dehydrogenase 0.0329 0.4074 0.4074
Loa Loa (eye worm) CYP4Cod1 0.0072 0.0393 0.0393
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0694 0.1617
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) cytochrome P450 family protein 0.0072 0.0393 0.0393

Activities

No activities found for this compound.

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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