Detailed information for compound 1163534

Basic information

Technical information
  • TDR Targets ID: 1163534
  • Name: 1-naphthalen-1-yl-3-(phenylmethylideneamino)u rea
  • MW: 289.331 | Formula: C18H15N3O
  • H donors: 2 H acceptors: 1 LogP: 3.81 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cccc2c1cccc2)N/N=C/c1ccccc1
  • InChi: 1S/C18H15N3O/c22-18(21-19-13-14-7-2-1-3-8-14)20-17-12-6-10-15-9-4-5-11-16(15)17/h1-13H,(H2,20,21,22)/b19-13+
  • InChiKey: MVEGRTOEVJPZFT-CPNJWEJPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(1-naphthyl)-3-(phenylmethyleneamino)urea
  • 3-(benzylideneamino)-1-(1-naphthyl)urea
  • NSC674492
  • NCI60_026380

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
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0588 0.1528 0.1138
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0648 0.1806 0.1316
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0475 0.1008 0.0593
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0527 0.1247 0.039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0475 0.1008 0.0823
Trichomonas vaginalis PIKK family atypical protein kinase 0.1933 0.7731 0.7684
Loa Loa (eye worm) hypothetical protein 0.0588 0.1528 0.1354
Loa Loa (eye worm) hypothetical protein 0.0527 0.1247 0.1068
Trichomonas vaginalis PIKK family atypical protein kinase 0.1809 0.7158 0.71
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0475 0.1008 0.0593
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1411 0.5324 0.5108
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0475 0.1008 0.0593
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.2426 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1809 0.7158 0.71
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0379 0.0564 0.0371
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0827 0.2629 0.2289
Trichomonas vaginalis PIKK family atypical protein kinase 0.1443 0.5471 0.5378
Trichomonas vaginalis PIKK family atypical protein kinase 0.1319 0.4898 0.4794
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0614 0.1649 0.1477
Trichomonas vaginalis PIKK family atypical protein kinase 0.0827 0.2629 0.2478
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0588 0.1528 0.1138
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0475 0.1008 0.0823
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0379 0.0564 0.0129
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0475 0.1008 0.0823
Trichomonas vaginalis PIKK family atypical protein kinase 0.1319 0.4898 0.4794
Trichomonas vaginalis PIKK family atypical protein kinase 0.1457 0.5537 0.5445
Trichomonas vaginalis PIKK family atypical protein kinase 0.2426 1 1
Entamoeba histolytica hypothetical protein 0.0475 0.1008 0.047
Echinococcus granulosus serine protein kinase ATM 0.0475 0.1008 0.0593
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1411 0.5324 0.5108
Trichomonas vaginalis PIKK family atypical protein kinase 0.1933 0.7731 0.7684
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.1935 0.774 0.6934
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0379 0.0564 0.0371
Trichomonas vaginalis conserved hypothetical protein 0.0352 0.0441 0.0245
Loa Loa (eye worm) hypothetical protein 0.0352 0.0441 0.0245
Trichomonas vaginalis PIKK family atypical protein kinase 0.1317 0.4889 0.4784
Echinococcus multilocularis serine protein kinase ATM 0.0475 0.1008 0.0593
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0827 0.2629 0.2289
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0823 0.2612 0.2461
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.2426 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0823 0.2612 0.2272
Loa Loa (eye worm) phosphatidylinositol 3 0.1275 0.4695 0.4586
Trichomonas vaginalis PIKK family atypical protein kinase 0.0827 0.2629 0.2478
Trichomonas vaginalis PIKK family atypical protein kinase 0.1457 0.5537 0.5445
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0827 0.2629 0.2478
Loa Loa (eye worm) phosphatidylinositol 3 0.2426 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0614 0.1649 0.1477
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.2426 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0827 0.2629 0.2189
Giardia lamblia GTOR 0.2426 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1933 0.7731 0.7684
Trichomonas vaginalis PIKK family atypical protein kinase 0.0665 0.1886 0.1719
Loa Loa (eye worm) hypothetical protein 0.0475 0.1008 0.0823
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0827 0.2629 0.2289
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.2426 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0827 0.2629 0.2478
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0588 0.1528 0.1138
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1019 0.3516 0.3129
Trichomonas vaginalis PIKK family atypical protein kinase 0.0475 0.1008 0.0823
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.1158 0.4155 0.3805
Trichomonas vaginalis PIKK family atypical protein kinase 0.1809 0.7158 0.71
Trichomonas vaginalis PIKK family atypical protein kinase 0.1457 0.5537 0.5445
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0827 0.2629 0.2478
Trichomonas vaginalis PIKK family atypical protein kinase 0.1443 0.5471 0.5378
Trichomonas vaginalis PIKK family atypical protein kinase 0.1319 0.4898 0.4794
Trichomonas vaginalis PIKK family atypical protein kinase 0.1809 0.7158 0.71
Trichomonas vaginalis PIKK family atypical protein kinase 0.1582 0.6109 0.603
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0823 0.2612 0.2461
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0475 0.1008 0.0593
Schistosoma mansoni fkbp-rapamycin associated protein 0.0475 0.1008 0.0593
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0827 0.2629 0.2189
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.2426 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0379 0.0564 0.0129
Trichomonas vaginalis PIKK family atypical protein kinase 0.1317 0.4889 0.4784
Trichomonas vaginalis PIKK family atypical protein kinase 0.1809 0.7158 0.71
Loa Loa (eye worm) hypothetical protein 0.049 0.1079 0.0896
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0475 0.1008 0.0593
Trichomonas vaginalis PIKK family atypical protein kinase 0.0827 0.2629 0.2478
Entamoeba histolytica hypothetical protein 0.0687 0.1984 0.1505
Entamoeba histolytica protein kinase rad3, putative 0.0475 0.1008 0.047
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0823 0.2612 0.2461
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.2426 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0379 0.0564 0.0371
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.2426 1 1
Trypanosoma cruzi target of rapamycin kinase 3 0.1935 0.774 0.7694
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.2426 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0827 0.2629 0.2289
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.2426 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2426 1 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0823 0.2612 0.2461
Trichomonas vaginalis PIKK family atypical protein kinase 0.0475 0.1008 0.0823
Loa Loa (eye worm) phosphatidylinositol 3 0.0827 0.2629 0.2478
Trichomonas vaginalis PIKK family atypical protein kinase 0.2074 0.8378 0.8345
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0451 0.0899 0.0355
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0823 0.2612 0.2461
Trichomonas vaginalis PIKK family atypical protein kinase 0.1317 0.4889 0.4784
Trichomonas vaginalis PIKK family atypical protein kinase 0.1933 0.7731 0.7684
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.2426 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0379 0.0564 0.0371
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0256 0 0.5
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.2426 1 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0687 0.1984 0.1505
Trichomonas vaginalis PIKK family atypical protein kinase 0.1809 0.7158 0.71
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0823 0.2612 0.2171
Trichomonas vaginalis PIKK family atypical protein kinase 0.1809 0.7158 0.71
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1411 0.5324 0.5108
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0475 0.1008 0.047
Trichomonas vaginalis PIKK family atypical protein kinase 0.2426 1 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.1935 0.774 0.7605
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0475 0.1008 0.047
Trichomonas vaginalis PIKK family atypical protein kinase 0.0827 0.2629 0.2478
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0588 0.153 0.114
Trichomonas vaginalis PIKK family atypical protein kinase 0.1634 0.6349 0.6274
Toxoplasma gondii target of rapamycin (TOR), putative 0.1809 0.7158 1
Trichomonas vaginalis conserved hypothetical protein 0.0527 0.1247 0.1068
Trichomonas vaginalis PIKK family atypical protein kinase 0.1933 0.7731 0.7684
Trichomonas vaginalis PIKK family atypical protein kinase 0.1319 0.4898 0.4794
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0477 0.102 0.0786

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) = 100 mg kg-1 Neurotoxicity in ip dosed Swiss albino mouse assessed as minimum dose required to cause impair in motor coordination after 4 hrs by rotarod test ChEMBL. 20356656
Activity (ADMET) = 100 mg kg-1 Neurotoxicity in ip dosed Swiss albino mouse assessed as minimum dose required to cause impair in motor coordination after 0.5 hrs by rotarod test ChEMBL. 20356656
MED (functional) = 300 mg kg-1 Anticonvulsant activity against maximal electroshock-induced seizures in ip dosed Swiss albino mouse assessed as minimum effective dose after 0.5 hrs ChEMBL. 20356656

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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