Detailed information for compound 64399

Basic information

Technical information
  • TDR Targets ID: 64399
  • Name: [2-(2-anilinoethoxy)-5-chlorophenyl]-phenylme thanone
  • MW: 351.826 | Formula: C21H18ClNO2
  • H donors: 1 H acceptors: 1 LogP: 5.54 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)C(=O)c1ccccc1)OCCNc1ccccc1
  • InChi: 1S/C21H18ClNO2/c22-17-11-12-20(25-14-13-23-18-9-5-2-6-10-18)19(15-17)21(24)16-7-3-1-4-8-16/h1-12,15,23H,13-14H2
  • InChiKey: HFICLMFATFDPGY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(2-anilinoethoxy)-5-chloro-phenyl]-phenyl-methanone
  • [5-chloro-2-(2-phenylazanylethoxy)phenyl]-phenyl-methanone
  • [5-chloro-2-[2-(phenylamino)ethoxy]phenyl]-phenylmethanone
  • [5-chloro-2-[2-(phenylamino)ethoxy]phenyl]-phenyl-methanone

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
Leishmania major cysteinyl-tRNA synthetase, putative 0.0086 0.0091 0.3978
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0133 0.0171 0.7592
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0165 0.0226 1
Chlamydia trachomatis cysteine--tRNA ligase 0.0086 0.0091 0.1474
Plasmodium vivax glutathione reductase, putative 0.0052 0.0032 0.1436
Loa Loa (eye worm) solute carrier family 6 member 4 0.0165 0.0225 0.3938
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0165 0.0226 1
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0133 0.0171 0.1159
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0118 0.0144 0.0132
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.0086 0.0091 0.4042
Loa Loa (eye worm) glutathione reductase 0.0052 0.0032 0.0566
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0131 0.0167 0.0156
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.0086 0.0091 0.0089
Onchocerca volvulus 0.0086 0.0091 0.2371
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.5919 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0057 0.0045
Loa Loa (eye worm) hypothetical protein 0.0034 0.0002 0.0042
Schistosoma mansoni hypothetical protein 0.0133 0.0171 0.7592
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0812 0.1323 0.1321
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0165 0.0226 1
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0369 0.0572 1
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.004 0.097
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0187 0.0263 0.026
Loa Loa (eye worm) hypothetical protein 0.0369 0.0572 1
Leishmania major trypanothione reductase 0.0052 0.0032 0.1343
Loa Loa (eye worm) thymidylate synthase 0.0118 0.0144 0.252
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0131 0.0167 0.0156
Loa Loa (eye worm) norepinephrine transporter 0.0165 0.0225 0.3938
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0057 0.2461
Brugia malayi dihydrofolate reductase family protein 0.0048 0.0026 0.0453
Onchocerca volvulus 0.0034 0.0002 0.0063
Brugia malayi Thioredoxin reductase 0.0052 0.0032 0.0566
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0086 0.0091 0.4047
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0812 0.1323 0.1313
Schistosoma mansoni sodium/chloride dependent transporter 0.0165 0.0225 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0165 0.0225 0.3553
Loa Loa (eye worm) hypothetical protein 0.0086 0.0091 0.1594
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0308 0.0469 1
Loa Loa (eye worm) hypothetical protein 0.0165 0.0225 0.3938
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0118 0.0144 0.0132
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0086 0.0091 0.3978
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0165 0.0226 1
Echinococcus multilocularis serotonin transporter 0.0165 0.0225 0.1526
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0133 0.0171 0.1159
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0057 0.2545
Brugia malayi hypothetical protein 0.0056 0.004 0.0691
Plasmodium falciparum cysteine--tRNA ligase 0.0086 0.0091 0.3978
Echinococcus multilocularis thymidylate synthase 0.0118 0.0144 0.0977
Brugia malayi Dihydrofolate reductase 0.0048 0.0026 0.0453
Onchocerca volvulus 0.0259 0.0385 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.0032 0.002
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0902 0.1476 1
Trypanosoma brucei trypanothione reductase 0.0052 0.0032 0.1343
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0131 0.0167 0.0156
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0812 0.1323 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0902 0.1476 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0118 0.0145 0.0133
Giardia lamblia Cysteinyl-tRNA synthetase 0.0086 0.0091 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0165 0.0226 1
Schistosoma mansoni hypothetical protein 0.0133 0.0171 0.7592
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.0086 0.0091 0.3978
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0034 0.0002 0.0108
Brugia malayi thymidylate synthase 0.0118 0.0144 0.252
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.5919 1 1
Echinococcus granulosus leucyl tRNA synthetase 0.0086 0.0091 0.0618
Brugia malayi cysteinyl tRNA synthetase protein 1 0.0086 0.0091 0.1594
Brugia malayi glutathione reductase 0.0052 0.0032 0.0566
Mycobacterium tuberculosis Hypothetical protein 0.0056 0.004 0.0028
Brugia malayi Pre-SET motif family protein 0.0228 0.0331 0.5789
Plasmodium falciparum glutathione reductase 0.0052 0.0032 0.1343
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.0086 0.0091 0.3978
Echinococcus granulosus serotonin transporter 0.0165 0.0225 0.1526
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.0086 0.0091 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0057 0.0388
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0057 0.0055
Loa Loa (eye worm) hypothetical protein 0.0165 0.0225 0.3938
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0057 0.0055
Echinococcus multilocularis dihydrofolate reductase 0.0048 0.0026 0.0176
Plasmodium vivax cysteine--tRNA ligase, putative 0.0086 0.0091 0.4042
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.0187 0.0263 0.1393
Schistosoma mansoni apoptosis regulator bax 0.0133 0.0171 0.7592
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0118 0.0145 0.0133
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0034 0.0002 0.0107
Mycobacterium ulcerans glycosyltransferase 0.004 0.0012 0.001
Onchocerca volvulus 0.0165 0.0225 0.5858
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0228 0.0331 0.5789
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0118 0.0145 0.0133
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.0086 0.0091 0.1594
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0137 0.0178 0.0166
Schistosoma mansoni dihydrofolate reductase 0.0048 0.0026 0.1151
Plasmodium falciparum thioredoxin reductase 0.0052 0.0032 0.1343
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0034 0.0002 0.0042
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0057 0.2545
Mycobacterium tuberculosis Probable oxidoreductase 0.0131 0.0167 0.0156
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0118 0.0145 0.0133
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0057 0.2542
Loa Loa (eye worm) hypothetical protein 0.0165 0.0225 0.3938
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.0086 0.0091 0.2322
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0034 0.0002 0.0107
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0308 0.0469 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.0032 0.0219
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0057 0.0055
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0057 0.0388
Toxoplasma gondii thioredoxin reductase 0.0052 0.0032 0.1436
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.0032 0.0219
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.0032 0.1343
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0118 0.0145 0.0133
Trichomonas vaginalis set domain proteins, putative 0.0259 0.0385 1
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0812 0.1323 0.1313
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0034 0.0002 0.0108
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0056 0.004 0.1662
Loa Loa (eye worm) apoptosis regulator protein 0.0369 0.0572 1
Echinococcus granulosus cysteinyl tRNA synthetase 0.0086 0.0091 0.0618
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0034 0.0002 0.0016
Plasmodium falciparum cysteine--tRNA ligase 0.0086 0.0091 0.3978
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0165 0.0226 1
Mycobacterium tuberculosis Probable reductase 0.0118 0.0145 0.0133
Echinococcus multilocularis cysteinyl tRNA synthetase 0.0086 0.0091 0.0618
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0137 0.0178 0.0166
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0048 0.0026 0.0014
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0187 0.0263 0.4547
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0048 0.0026 0.0024
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.0032 0.0566
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0034 0.0002 0.0016
Schistosoma mansoni hypothetical protein 0.0133 0.0171 0.7592
Echinococcus granulosus dihydrofolate reductase 0.0048 0.0026 0.0176
Schistosoma mansoni cysteinyl-tRNA synthetase 0.0086 0.0091 0.4047
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0165 0.0225 0.3938
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0118 0.0145 0.0133
Mycobacterium ulcerans thymidylate synthase 0.0118 0.0144 0.0142
Echinococcus granulosus thymidylate synthase 0.0118 0.0144 0.0977
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.0032 0.1436
Loa Loa (eye worm) serotonin transporter b 0.0165 0.0225 0.3938
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0048 0.0026 0.0014
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.0187 0.0263 0.535
Onchocerca volvulus 0.0118 0.0144 0.3748
Loa Loa (eye worm) dihydrofolate reductase 0.0048 0.0026 0.0453
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0165 0.0225 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0118 0.0144 0.6399

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 ug ml-1 Inhibitory activity against HIV-1 reverse transcriptase ChEMBL. 7538590
IC50 (binding) > 100 ug ml-1 Inhibitory activity against HIV-1 reverse transcriptase ChEMBL. 7538590

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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