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
Schistosoma mansoni L-lactate dehydrogenase 0.0311 0.3815 0.3815
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0694 0.1617
Schistosoma mansoni malate dehydrogenase 0.0335 0.4171 0.4171
Echinococcus granulosus lactate dehydrogenase a 0.0742 1 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0219 0.0219
Trichomonas vaginalis malate dehydrogenase, putative 0.0176 0.1889 0.4499
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0219 0.0219
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0256 0.0256
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0714 0.1713
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0256 0.0256
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0085 0.0579 0.1388
Loa Loa (eye worm) CYP4Cod1 0.0072 0.0393 0.0393
Echinococcus multilocularis lactate dehydrogenase a 0.0742 1 1
Schistosoma mansoni L-lactate dehydrogenase 0.0742 1 1
Trypanosoma cruzi malate dehydrogenase, putative 0.0311 0.3815 0.9147
Echinococcus granulosus cytosolic malate dehydrogenase 0.0335 0.4171 0.4171
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0335 0.4171 0.4171
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0714 0.1713
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0219 0.0219
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Trypanosoma brucei polo-like protein kinase 0.0093 0.0694 0.1664
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0085 0.0579 0.1388
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0694 0.1617
Trypanosoma cruzi cytochrome P450, putative 0.0072 0.0393 0.0941
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0085 0.0579 0.1388
Echinococcus granulosus cytosolic malate dehydrogenase 0.0335 0.4171 0.4171
Brugia malayi RNA binding protein 0.0062 0.0256 0.0256
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Leishmania major mitochondrial malate dehydrogenase 0.0329 0.4074 0.4074
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0256 0.0256
Loa Loa (eye worm) cytochrome P450 family protein 0.0072 0.0393 0.0393
Chlamydia trachomatis malate dehydrogenase 0.0335 0.4171 0.5
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0256 0.0256
Trypanosoma cruzi malate dehydrogenase, putative 0.0329 0.4074 0.9767
Brugia malayi Cytochrome P450 family protein 0.0072 0.0393 0.0393
Trypanosoma cruzi cytosolic 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 0.0104 0.0855 0.0855
Trypanosoma brucei malate dehydrogenase-related 0.0311 0.3815 0.9147
Brugia malayi Probable malate dehydrogenase, mitochondrial precursor 0.0329 0.4074 0.4074
Plasmodium vivax malate dehydrogenase, putative 0.0742 1 1
Leishmania major malate dehydrogenase, putative 0.0311 0.3815 0.3815
Brugia malayi Malate dehydrogenase, cytoplasmic 0.0335 0.4171 0.4171
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0072 0.0393 0.0941
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.0694 0.0694
Trichomonas vaginalis malate dehydrogenase, putative 0.0311 0.3815 0.9142
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0219 0.0526
Echinococcus granulosus malate dehydrogenase 0.0329 0.4074 0.4074
Giardia lamblia Malate dehydrogenase 0.0335 0.4171 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0219 0.0526
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0694 0.1664
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0694 0.1617
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0219 0.0219
Toxoplasma gondii malate dehydrogenase MDH 0.0742 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0694 0.1617
Echinococcus multilocularis cytosolic malate dehydrogenase 0.0335 0.4171 0.4171
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0256 0.0256
Leishmania major cytosolic malate dehydrogenase 0.0335 0.4171 0.4171
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.0694 0.0694
Echinococcus granulosus L lactate dehydrogenase B chain 0.0742 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0256 0.0256
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0335 0.4171 1
Loa Loa (eye worm) malate dehydrogenase 0.0329 0.4074 0.4074
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Echinococcus multilocularis malate dehydrogenase 0.0329 0.4074 0.4074
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0219 0.0219
Trypanosoma cruzi mitochondrial malate dehydrogenase, putative 0.0329 0.4074 0.9767
Echinococcus granulosus malate dehydrogenase 0.0329 0.4074 0.4074
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0694 0.1617
Mycobacterium tuberculosis Probable reductase 0.0085 0.0579 0.1388
Trichomonas vaginalis malate dehydrogenase, putative 0.0151 0.1533 0.3641
Brugia malayi TAR-binding protein 0.0062 0.0256 0.0256
Schistosoma mansoni malate dehydrogenase 0.0335 0.4171 0.4171
Echinococcus multilocularis lactate dehydrogenase a 0.0742 1 1
Wolbachia endosymbiont of Brugia malayi malate dehydrogenase 0.0742 1 0.5
Trypanosoma brucei cytosolic malate dehydrogenase 0.0335 0.4171 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0085 0.0579 0.1388
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0335 0.4171 1
Plasmodium falciparum malate dehydrogenase 0.0742 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.0694 0.0694
Mycobacterium tuberculosis Probable malate dehydrogenase Mdh 0.0335 0.4171 1
Leishmania major malate dehydrogenase 0.0329 0.4074 0.4074
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Loa Loa (eye worm) malate dehydrogenase 0.0335 0.4171 0.4171
Leishmania major malate dehydrogenase, putative 0.0742 1 1
Entamoeba histolytica malate dehydrogenase,cytoplasmic, putative 0.0335 0.4171 0.3736
Echinococcus granulosus lactate dehydrogenase protein 0.0742 1 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0329 0.4074 0.9767
Trypanosoma cruzi cytochrome P450, putative 0.0072 0.0393 0.0941
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.0694 0.0694
Echinococcus granulosus tar DNA binding protein 0.0062 0.0256 0.0256
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0085 0.0579 0.1388
Loa Loa (eye worm) hypothetical protein 0.0742 1 1
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0219 0.0219
Trypanosoma brucei mitochondrial malate dehydrogenase 0.0329 0.4074 0.9767
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0694 0.1617
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0694 0.1664
Entamoeba histolytica malate dehydrogenase, putative 0.0742 1 1
Trypanosoma cruzi cytosolic malate dehydrogenase, putative 0.0335 0.4171 1
Schistosoma mansoni kinase 0.0047 0.0041 0.0041
Trypanosoma brucei cytochrome P450, putative 0.0072 0.0393 0.0941
Plasmodium falciparum L-lactate dehydrogenase 0.0742 1 1
Toxoplasma gondii lactate dehydrogenase LDH1 0.0742 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0219 0.0526
Mycobacterium ulcerans malate dehydrogenase 0.0335 0.4171 1
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0256 0.0256
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Trypanosoma cruzi glycosomal malate dehydrogenase, putative 0.0329 0.4074 0.9767
Loa Loa (eye worm) cytochrome P450 family protein 0.0104 0.0855 0.0855
Loa Loa (eye worm) RNA binding protein 0.0062 0.0256 0.0256
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0714 0.1713
Echinococcus multilocularis L lactate dehydrogenase B chain 0.0742 1 1
Echinococcus granulosus L lactate dehydrogenase 0.0432 0.5551 0.5551
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.0694 0.5
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0219 0.0526
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0714 0.1713
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0085 0.0579 0.1388
Trypanosoma brucei glycosomal malate dehydrogenase 0.0329 0.4074 0.9767
Schistosoma mansoni malate dehydrogenase 0.0329 0.4074 0.4074
Echinococcus granulosus lactate dehydrogenase a 0.0742 1 1
Leishmania major glycosomal malate dehydrogenase 0.0329 0.4074 0.4074
Plasmodium vivax lactate dehydrogenase 0.0742 1 1
Echinococcus multilocularis lactate dehydrogenase protein 0.0742 1 1
Echinococcus multilocularis lactate dehydrogenase a 0.0742 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0072 0.0393 0.0393
Schistosoma mansoni malate dehydrogenase 0.0742 1 1
Echinococcus multilocularis L lactate dehydrogenase 0.0432 0.5551 0.5551
Entamoeba histolytica malate dehydrogenase, putative 0.0335 0.4171 0.3736
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0256 0.0256
Trichomonas vaginalis malate dehydrogenase, putative 0.0335 0.4171 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0256 0.0256
Echinococcus multilocularis malate dehydrogenase 0.0329 0.4074 0.4074
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0335 0.4171 1
Mycobacterium leprae PROBABLE MALATE DEHYDROGENASE MDH 0.0335 0.4171 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.0694 0.0694
Trichomonas vaginalis malate and lactate dehydrogenase, putative 0.0335 0.4171 1
Toxoplasma gondii lactate dehydrogenase LDH2 0.0742 1 1
Brugia malayi Cytochrome P450 family protein 0.0072 0.0393 0.0393
Leishmania major cytochrome p450-like protein 0.0072 0.0393 0.0393
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.0694 0.0694

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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