Detailed information for compound 1022518

Basic information

Technical information
  • TDR Targets ID: 1022518
  • Name: N-[4-(phenylmethoxy)phenyl]-6-[5-(piperidin-1 -ylmethyl)furan-2-yl]pyrido[4,5-e]pyrimidin-4 -amine
  • MW: 491.584 | Formula: C30H29N5O2
  • H donors: 1 H acceptors: 3 LogP: 5.29 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: C1CCN(CC1)Cc1ccc(o1)c1ncc2c(c1)c(ncn2)Nc1ccc(cc1)OCc1ccccc1
  • InChi: 1S/C30H29N5O2/c1-3-7-22(8-4-1)20-36-24-11-9-23(10-12-24)34-30-26-17-27(31-18-28(26)32-21-33-30)29-14-13-25(37-29)19-35-15-5-2-6-16-35/h1,3-4,7-14,17-18,21H,2,5-6,15-16,19-20H2,(H,32,33,34)
  • InChiKey: HFLIIKDYKWPBME-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-(phenylmethoxy)phenyl]-6-[5-(1-piperidylmethyl)-2-furyl]pyrido[4,5-e]pyrimidin-4-amine
  • N-[4-(phenylmethoxy)phenyl]-6-[5-(1-piperidylmethyl)-2-furyl]-4-pyrido[4,5-e]pyrimidinamine
  • [4-(benzyloxy)phenyl]-[6-[5-(piperidinomethyl)-2-furyl]pyrido[4,5-e]pyrimidin-4-yl]amine

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 RNA recognition motif domain containing protein 0.0068 0.0074 0.0587
Mycobacterium ulcerans hypothetical protein 0.0164 0.0364 0.0823
Schistosoma mansoni hypothetical protein 0.0308 0.08 0.4614
Echinococcus granulosus snurportin 1 0.0308 0.08 0.6549
Loa Loa (eye worm) hypothetical protein 0.0113 0.021 0.2369
Leishmania major inosine-5-monophosphate dehydrogenase 0.0221 0.0537 0.6248
Echinococcus granulosus sterol regulatory element binding protein 0.013 0.0262 0.1694
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0469 0.3964
Echinococcus multilocularis protein dispatched 1 0.0149 0.0318 0.0245
Echinococcus multilocularis snurportin 1 0.0308 0.08 0.0731
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0074 0.0266
Echinococcus granulosus Protein patched homolog 1 0.013 0.0262 0.1694
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.0314 0.3871
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0074 0.0266
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0221 0.0537 0.1245
Loa Loa (eye worm) hypothetical protein 0.013 0.0262 0.304
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.0785 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.0318 0.1726
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0098 0.0163 0.0332
Trypanosoma cruzi GMP reductase 0.0221 0.0537 0.6624
Loa Loa (eye worm) GMP reductase 0.0098 0.0163 0.1762
Schistosoma mansoni sex comb on midleg homolog 0.01 0.0168 0.083
Schistosoma mansoni sex comb on midleg homolog 0.01 0.0168 0.083
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.01 0.0168 0.3153
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.0502 0.4584
Loa Loa (eye worm) hypothetical protein 0.0071 0.0081 0.07
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0124 0.0241 0.0543
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.0318 0.2199
Loa Loa (eye worm) hypothetical protein 0.0264 0.0665 0.8255
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0221 0.0537 0.3041
Brugia malayi TAR-binding protein 0.0068 0.0074 0.0587
Schistosoma mansoni hypothetical protein 0.0126 0.0248 0.1306
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0221 0.0537 0.4179
Brugia malayi GMP reductase 0.0098 0.0163 0.1761
Echinococcus granulosus SAM and MBT domain containing protein 0.01 0.0168 0.085
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.0785 1
Echinococcus multilocularis histone acetyltransferase MYST2 0.0113 0.021 0.0137
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0071 0.0081 0.0132
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0221 0.0537 0.1245
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0053 0.0029 0.0358
Mycobacterium ulcerans transcriptional regulator 0.1407 0.4124 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0081 0.07
Schistosoma mansoni hypothetical protein 0.0605 0.1698 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0308 0.08 1
Echinococcus multilocularis polycomb protein SCMH1 0.01 0.0168 0.0095
Schistosoma mansoni hypothetical protein 0.017 0.0381 0.2101
Trichomonas vaginalis glucosylceramidase, putative 0.021 0.0502 0.4584
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0221 0.0537 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0469 0.3964
Brugia malayi follicle stimulating hormone receptor 0.025 0.0624 0.7852
Schistosoma mansoni hypothetical protein 0.0126 0.0248 0.1306
Brugia malayi mbt repeat family protein 0.01 0.0168 0.1829
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0469 0.3964
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.0785 1
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0098 0.0163 0.0203
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0148 0.0314 0.3871
Loa Loa (eye worm) mbt repeat family protein 0.01 0.0168 0.1829
Trypanosoma brucei GMP reductase 0.0221 0.0537 0.6624
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.0785 1
Brugia malayi AMP-binding enzyme family protein 0.0071 0.0081 0.0677
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0469 0.3964
Schistosoma mansoni hypothetical protein 0.0126 0.0248 0.1306
Mycobacterium ulcerans AcrR family transcriptional regulator 0.1407 0.4124 1
Echinococcus granulosus Niemann Pick C1 protein 0.0434 0.1182 1
Echinococcus multilocularis expressed conserved protein 0.0286 0.0731 0.0662
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.0318 0.1726
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0221 0.0537 0.6699
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0221 0.0537 0.1128
Toxoplasma gondii IMP dehydrogenas 0.0221 0.0537 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0071 0.0081 0.0132
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0221 0.0537 0.0466
Leishmania major guanosine monophosphate reductase 0.0221 0.0537 0.6248
Trypanosoma cruzi GMP reductase 0.0221 0.0537 0.6624
Loa Loa (eye worm) IMP dehydrogenase 1 0.0221 0.0537 0.6603
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0303 0.0785 0.9968
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0148 0.0314 0.3188
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0312 0.0811 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0071 0.0081 0.0132
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0074 0.0266
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0221 0.0537 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0071 0.0081 0.0132
Loa Loa (eye worm) follicle stimulating hormone receptor 0.025 0.0624 0.7733
Echinococcus multilocularis geminin 0.017 0.0381 0.0308
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.0785 1
Echinococcus granulosus histone acetyltransferase MYST2 0.0113 0.021 0.1226
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0309 0.0801 0.4624
Mycobacterium ulcerans hypothetical protein 0.0071 0.0081 0.0132
Echinococcus multilocularis Niemann Pick C1 protein 0.0304 0.0787 0.0718
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0053 0.0027 0.5
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0304 0.0787 1
Loa Loa (eye worm) TAR-binding protein 0.0068 0.0074 0.0611
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0071 0.0081 0.0132
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0221 0.0537 0.6624
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0221 0.0537 0.1264
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0113 0.021 0.0137
Echinococcus granulosus expressed conserved protein 0.0286 0.0731 0.5932
Loa Loa (eye worm) RNA binding protein 0.0068 0.0074 0.0611
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0221 0.0537 0.6624
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0312 0.0811 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0392 0.1054 0.8847
Loa Loa (eye worm) hypothetical protein 0.0071 0.0081 0.07
Mycobacterium ulcerans TetR family transcriptional regulator 0.1407 0.4124 1
Brugia malayi CHE-14 protein 0.013 0.0262 0.3065
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0124 0.0241 0.0396
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0221 0.0537 0.6624
Onchocerca volvulus Glucosylceramidase homolog 0.0199 0.0469 1
Echinococcus granulosus polycomb protein SCMH1 0.01 0.0168 0.085
Schistosoma mansoni myelin transcription factor 1 myt1 0.0113 0.021 0.108
Schistosoma mansoni hypothetical protein 0.017 0.0381 0.2101
Loa Loa (eye worm) hypothetical protein 0.0304 0.0787 0.9838
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.01 0.0168 0.083
Brugia malayi hypothetical protein 0.0264 0.0665 0.8385
Echinococcus multilocularis sterol regulatory element binding protein 0.013 0.0262 0.0189
Loa Loa (eye worm) hypothetical protein 0.01 0.0168 0.1829
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0149 0.0318 0.2199
Mycobacterium tuberculosis Conserved hypothetical protein 0.0164 0.0364 0.0843
Echinococcus multilocularis SAM and MBT domain containing protein 0.01 0.0168 0.0095
Echinococcus granulosus geminin 0.017 0.0381 0.2764
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 0.1407 0.4124 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0221 0.0537 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0149 0.0318 0.3802
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0469 0.3964
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0071 0.0081 0.0132
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0098 0.0163 0.1761
Loa Loa (eye worm) MBCTL1 0.0113 0.021 0.2369
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0312 0.0811 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0304 0.0787 1
Brugia malayi RNA binding protein 0.0068 0.0074 0.0587
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0469 0.3964
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0221 0.0537 0.6624
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0074 0.0266
Onchocerca volvulus 0.0071 0.0081 0.1168
Echinococcus granulosus Niemann Pick C1 protein 0.0304 0.0787 0.6436
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0113 0.021 0.1226
Onchocerca volvulus 0.01 0.0168 0.3153
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0303 0.0785 0.9807
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.0469 0.3964
Schistosoma mansoni tar DNA-binding protein 0.0068 0.0074 0.0266
Echinococcus multilocularis survival motor neuron protein 1 0.0264 0.0665 0.0595
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.013 0.0262 0.304
Onchocerca volvulus Putative GMP reductase 0.0098 0.0163 0.3035
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0149 0.0318 0.3763
Brugia malayi mbt repeat family protein 0.01 0.0168 0.1829
Brugia malayi AMP-binding enzyme family protein 0.0071 0.0081 0.0677
Schistosoma mansoni hypothetical protein 0.0126 0.0248 0.1306
Trichomonas vaginalis glucosylceramidase, putative 0.0303 0.0785 1
Schistosoma mansoni patched 1 0.013 0.0262 0.1391
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0053 0.0027 0.0021
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0071 0.0081 0.0153
Brugia malayi RNA, U transporter 1 0.0082 0.0116 0.1132
Echinococcus multilocularis Niemann Pick C1 protein 0.0434 0.1182 0.1116
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0098 0.0163 0.1761
Leishmania major mitochondrial DNA polymerase beta 0.0312 0.0811 1
Echinococcus multilocularis protein patched 0.013 0.0262 0.0189
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0392 0.1054 0.0987
Brugia malayi AMP-binding enzyme family protein 0.0071 0.0081 0.0677
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.0318 0.0245
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0071 0.0081 0.0153
Mycobacterium leprae Probable transcriptional regulatory repressor protein (TetR-family) EthR 0.1407 0.4124 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0149 0.0318 0.1726
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0068 0.0074 0.0611
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0149 0.0318 0.0245
Mycobacterium ulcerans acyl-CoA synthetase 0.0071 0.0081 0.0132
Loa Loa (eye worm) hypothetical protein 0.016 0.0351 0.419
Echinococcus granulosus survival motor neuron protein 1 0.0264 0.0665 0.5332
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0113 0.021 0.238

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.
 
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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