Detailed information for compound 1596613

Basic information

Technical information
  • TDR Targets ID: 1596613
  • Name: 1-naphthalen-2-yloxy-3-(phenylmethylamino)pro pan-2-ol
  • MW: 307.386 | Formula: C20H21NO2
  • H donors: 2 H acceptors: 1 LogP: 3.59 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(COc1ccc2c(c1)cccc2)CNCc1ccccc1
  • InChi: 1S/C20H21NO2/c22-19(14-21-13-16-6-2-1-3-7-16)15-23-20-11-10-17-8-4-5-9-18(17)12-20/h1-12,19,21-22H,13-15H2
  • InChiKey: NOQDCXDNPMPBSY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(2-naphthyloxy)-3-(phenylmethylamino)propan-2-ol
  • 1-(benzylamino)-3-(2-naphthyloxy)propan-2-ol
  • Oprea1_577577

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 isocitrate dehydrogenase 0.0671 0.8851 1
Brugia malayi Isocitrate dehydrogenase 0.0671 0.8851 1
Trichomonas vaginalis CAMK family protein kinase 0.0088 0.0947 1
Brugia malayi PHD-finger family protein 0.0027 0.0122 0.0138
Echinococcus granulosus lysine specific demethylase 5A 0.0033 0.02 0.0217
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0062 0.0587 0.0637
Trichomonas vaginalis CAMK family protein kinase 0.0088 0.0947 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0088 0.0947 0.107
Schistosoma mansoni microtubule-associated protein tau 0.0699 0.9224 1
Entamoeba histolytica hypothetical protein 0.0034 0.0208 0.1641
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0671 0.8851 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0385 0.0435
Entamoeba histolytica hypothetical protein 0.0034 0.0208 0.1641
Brugia malayi Probable isocitrate dehydrogenase 0.0082 0.0859 0.097
Schistosoma mansoni jumonji/arid domain-containing protein 0.0033 0.02 0.0217
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.0947 0.1027
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0082 0.0859 0.097
Toxoplasma gondii aldehyde dehydrogenase 0.0062 0.0587 0.0533
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0053 0.006
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0671 0.8851 1
Echinococcus multilocularis expressed protein 0.0348 0.447 0.447
Brugia malayi hypothetical protein 0.0221 0.2742 0.3098
Loa Loa (eye worm) hypothetical protein 0.0022 0.0053 0.006
Onchocerca volvulus 0.0045 0.0363 0.3466
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0089 0.096 0.1041
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0088 0.0947 0.0947
Schistosoma mansoni hypothetical protein 0.0027 0.0122 0.0133
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0027 0.0122 0.0133
Entamoeba histolytica hypothetical protein 0.0034 0.0208 0.1641
Echinococcus multilocularis isocitrate dehydrogenase 0.0671 0.8851 0.8851
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0382 0.0431
Trichomonas vaginalis CAMK family protein kinase 0.0044 0.0345 0.0864
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0082 0.0859 0.097
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0671 0.8851 1
Brugia malayi isocitrate dehydrogenase 0.0671 0.8851 1
Entamoeba histolytica tartrate dehydrogenase, putative 0.0082 0.0859 0.8528
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0082 0.0859 0.8658
Trichomonas vaginalis CAMK family protein kinase 0.0088 0.0947 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0093 0.1017 0.1103
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0082 0.0859 0.0931
Brugia malayi Niemann-Pick C1 protein precursor 0.0092 0.0998 0.1127
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0062 0.0587 0.0607
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0089 0.096 0.096
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0082 0.0859 0.5
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0082 0.0859 0.0931
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0082 0.0859 0.0859
Loa Loa (eye worm) hypothetical protein 0.0048 0.0408 0.0461
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0587 0.0637
Brugia malayi jmjC domain containing protein 0.0089 0.096 0.1085
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0671 0.8851 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0671 0.8851 0.8851
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0088 0.0947 0.1027
Loa Loa (eye worm) hypothetical protein 0.0151 0.1804 0.2038
Echinococcus granulosus PHD finger protein rhinoceros 0.0027 0.0122 0.0133
Loa Loa (eye worm) hypothetical protein 0.0039 0.0288 0.0325
Brugia malayi latrophilin 2 splice variant baaae 0.0032 0.0184 0.0208
Loa Loa (eye worm) isocitrate dehydrogenase 0.0671 0.8851 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0587 0.6627
Entamoeba histolytica hypothetical protein 0.0034 0.0208 0.1641
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0046 0.0384 0.0434
Mycobacterium tuberculosis Probable 3-isopropylmalate dehydrogenase LeuB (beta-IPM dehydrogenase) (IMDH) (3-IPM-DH) 0.0082 0.0859 0.0915
Schistosoma mansoni transcription factor LCR-F1 0.0034 0.0208 0.0226
Loa Loa (eye worm) jmjC domain-containing protein 0.0033 0.02 0.0226
Loa Loa (eye worm) hypothetical protein 0.0046 0.0384 0.0434
Echinococcus granulosus sterol regulatory element binding protein 0.0039 0.0288 0.0312
Schistosoma mansoni aldehyde dehydrogenase 0.0062 0.0587 0.0637
Echinococcus granulosus expressed conserved protein 0.0086 0.0922 0.1
Schistosoma mansoni survival motor neuron protein 0.0045 0.0363 0.0394
Loa Loa (eye worm) hypothetical protein 0.0027 0.0122 0.0138
Loa Loa (eye worm) hypothetical protein 0.0151 0.1804 0.2038
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0587 0.6627
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0082 0.0859 0.097
Echinococcus multilocularis Niemann Pick C1 protein 0.0092 0.0998 0.0998
Echinococcus multilocularis sterol regulatory element binding protein 0.0039 0.0288 0.0288
Brugia malayi hypothetical protein 0.0034 0.0208 0.0236
Trichomonas vaginalis CAMK family protein kinase 0.0088 0.0947 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0088 0.0947 0.9466
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0382 0.0414
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0082 0.0859 0.097
Schistosoma mansoni hypothetical protein 0.0032 0.0184 0.02
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0671 0.8851 0.8851
Echinococcus granulosus survival motor neuron protein 1 0.0221 0.2742 0.2972
Schistosoma mansoni isocitrate dehydrogenase 0.0082 0.0859 0.0931
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0382 0.0414
Echinococcus multilocularis PHD finger protein rhinoceros 0.0027 0.0122 0.0122
Echinococcus granulosus expressed protein 0.0348 0.447 0.4846
Loa Loa (eye worm) PHD-finger family protein 0.0027 0.0122 0.0138
Toxoplasma gondii isocitrate dehydrogenase 0.0671 0.8851 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0088 0.0947 0.107
Onchocerca volvulus Serine\/threonine kinase homolog 0.0088 0.0947 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0034 0.0208 0.0208
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0712 0.0772
Schistosoma mansoni unc-13 (munc13) 0.0082 0.0859 0.0931
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0671 0.8851 1
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0671 0.8851 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0184 0.0208
Loa Loa (eye worm) hypothetical protein 0.0022 0.0053 0.006
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0062 0.0587 0.0607
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0382 0.0414
Loa Loa (eye worm) jmjC domain-containing protein 0.0056 0.0515 0.0581
Echinococcus multilocularis muscleblind protein 0.0151 0.1804 0.1804
Schistosoma mansoni jumonji/arid domain-containing protein 0.0033 0.02 0.0217
Onchocerca volvulus Alhambra homolog 0.0027 0.0122 0.077
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0082 0.0859 0.0859
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0046 0.0384 0.0434
Brugia malayi Bromodomain containing protein 0.0027 0.0122 0.0138
Loa Loa (eye worm) hypothetical protein 0.0092 0.0998 0.1127
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0039 0.0288 0.0325
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0671 0.8851 0.8851
Brugia malayi Muscleblind-like protein 0.0151 0.1804 0.2038
Echinococcus multilocularis Niemann Pick C1 protein 0.0131 0.1532 0.1532
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0671 0.8851 0.9596
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0671 0.8851 1
Echinococcus multilocularis protein patched 0.0039 0.0288 0.0288
Brugia malayi CHE-14 protein 0.0039 0.0288 0.0325
Echinococcus multilocularis lysine specific demethylase 5A 0.0033 0.02 0.02
Schistosoma mansoni hypothetical protein 0.0038 0.0269 0.0291
Loa Loa (eye worm) hypothetical protein 0.0221 0.2742 0.3098
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0082 0.0859 0.0931
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0082 0.0859 1
Trichomonas vaginalis CAMK family protein kinase 0.0088 0.0947 1
Trichomonas vaginalis CAMK family protein kinase 0.0088 0.0947 1
Schistosoma mansoni patched 1 0.0039 0.0288 0.0312
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0053 0.006
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0671 0.8851 0.9596
Loa Loa (eye worm) hypothetical protein 0.0022 0.0053 0.006
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0092 0.0998 1
Schistosoma mansoni hypothetical protein 0.0038 0.0269 0.0291
Echinococcus multilocularis microtubule associated protein 2 0.0699 0.9224 0.9224
Loa Loa (eye worm) hypothetical protein 0.0082 0.0859 0.097
Brugia malayi AMP-binding enzyme family protein 0.0022 0.0053 0.006
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0082 0.0859 1
Echinococcus granulosus peregrin 0.0027 0.0122 0.0133
Trichomonas vaginalis CAMK family protein kinase 0.0088 0.0947 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0382 0.0382
Mycobacterium ulcerans aldehyde dehydrogenase 0.0062 0.0587 0.6627
Echinococcus multilocularis survival motor neuron protein 1 0.0221 0.2742 0.2742
Brugia malayi Calcitonin receptor-like protein seb-1 0.0046 0.0384 0.0434
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0062 0.0587 0.0587
Leishmania major isocitrate dehydrogenase, putative 0.0082 0.0859 0.0915
Echinococcus multilocularis muscleblind protein 1 0.0151 0.1804 0.1804
Echinococcus multilocularis protein dispatched 1 0.0045 0.0363 0.0363
Brugia malayi jmjC domain containing protein 0.0033 0.02 0.0226
Schistosoma mansoni hypothetical protein 0.0045 0.0363 0.0394
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0382 0.0382
Brugia malayi Probable isocitrate dehydrogenase 0.0082 0.0859 0.097
Giardia lamblia Kinase, PLK 0.0088 0.0947 1
Echinococcus multilocularis expressed conserved protein 0.0086 0.0922 0.0922
Echinococcus multilocularis jumonji domain containing protein 0.0038 0.0267 0.0267
Schistosoma mansoni hypothetical protein 0.0038 0.0269 0.0291
Schistosoma mansoni hypothetical protein 0.0034 0.0208 0.0226
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0671 0.8851 0.8851
Echinococcus granulosus Niemann Pick C1 protein 0.0092 0.0998 0.1082
Echinococcus multilocularis peregrin 0.0027 0.0122 0.0122
Echinococcus granulosus muscleblind protein 0.0151 0.1804 0.1956
Echinococcus granulosus jumonji domain containing protein 0.0038 0.0267 0.0289
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0382 0.0414
Trichomonas vaginalis CAMK family protein kinase 0.0044 0.0345 0.0864
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0382 0.0431
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0034 0.0208 0.0226
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0045 0.0363 0.0411
Schistosoma mansoni hypothetical protein 0.0038 0.0269 0.0291
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0088 0.0947 0.1016
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0382 0.0414
Echinococcus granulosus Niemann Pick C1 protein 0.0131 0.1532 0.1661
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0671 0.8851 1
Echinococcus granulosus microtubule associated protein 2 0.0699 0.9224 1
Schistosoma mansoni kinase 0.0045 0.036 0.0391
Echinococcus granulosus Protein patched homolog 1 0.0039 0.0288 0.0312

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 6.77 uM Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum D10 after 48 hrs by lactate dehydrogenase assay ChEMBL. 22196513
Ratio IC50 (functional) = 2 Resistance index, ratio of IC50 for chloroquine-resistant Plasmodium falciparum K1 to IC50 for chloroquine-sensitive Plasmodium falciparum D10 ChEMBL. 22196513

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 22196513

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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