Detailed information for compound 821252

Basic information

Technical information
  • TDR Targets ID: 821252
  • Name: 2-[3-(benzotriazol-1-ylmethyl)-4-methoxypheny l]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin -4-one
  • MW: 465.503 | Formula: C27H23N5O3
  • H donors: 1 H acceptors: 3 LogP: 4.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1Cn1nnc2c1cccc2)C1Nc2ccccc2C(=O)N1Cc1ccco1
  • InChi: 1S/C27H23N5O3/c1-34-25-13-12-18(15-19(25)16-32-24-11-5-4-10-23(24)29-30-32)26-28-22-9-3-2-8-21(22)27(33)31(26)17-20-7-6-14-35-20/h2-15,26,28H,16-17H2,1H3
  • InChiKey: YRZWHERKXINQTO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-3-(2-furylmethyl)-1,2-dihydroquinazolin-4-one
  • 2-[3-(1-benzotriazolylmethyl)-4-methoxyphenyl]-3-(2-furylmethyl)-1,2-dihydroquinazolin-4-one
  • 2-[3-(benzotriazol-1-ylmethyl)-4-methoxy-phenyl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
  • BIM-0015569.P001
  • CBMicro_015433
  • Oprea1_779428

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
Echinococcus multilocularis sodium and chloride dependent glycine 0.0139 0.045 0.0609
Echinococcus granulosus sodium and chloride dependent glycine 0.0139 0.045 0.0399
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0139 0.045 0.5
Schistosoma mansoni hypothetical protein 0.0396 0.2775 0.4224
Echinococcus granulosus exocyst complex component 2 0.0124 0.0324 0.0272
Schistosoma mansoni sodium-dependent amino acid transporter 0.0139 0.045 0.0685
Loa Loa (eye worm) hypothetical protein 0.0284 0.1766 0.2627
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0139 0.045 0.0685
Schistosoma mansoni nephrin 0.0102 0.0122 0.0186
Echinococcus multilocularis plexin a4 0.0804 0.6467 0.984
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0139 0.045 0.0685
Schistosoma mansoni fibrocystin l 0.0124 0.0324 0.0492
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0139 0.045 0.0609
Echinococcus granulosus semaphorin 5B 0.0284 0.1766 0.1722
Brugia malayi plexin A 0.0804 0.6467 0.984
Schistosoma mansoni hypothetical protein 0.0284 0.1766 0.2687
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0139 0.045 0.5
Schistosoma mansoni tyrosine kinase 0.0209 0.1084 0.165
Echinococcus granulosus roundabout 2 0.0112 0.021 0.0158
Entamoeba histolytica tyrosin kinase, putative 0.0167 0.071 1
Brugia malayi Plexin repeat family protein 0.068 0.5342 0.8115
Echinococcus granulosus neuroglian 0.0102 0.0122 0.0069
Schistosoma mansoni hypothetical protein 0.0124 0.0324 0.0492
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0139 0.045 0.0609
Loa Loa (eye worm) hypothetical protein 0.0139 0.045 0.0609
Schistosoma mansoni sodium/chloride dependent transporter 0.0139 0.045 0.0685
Echinococcus granulosus semaphorin 1A 0.0284 0.1766 0.1722
Brugia malayi Probable exocyst complex component Sec5 0.0124 0.0324 0.0414
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0124 0.0324 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0209 0.1084 0.1036
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0139 0.045 0.0609
Schistosoma mansoni cell adhesion molecule 0.0104 0.0141 0.0215
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.0324 0.5
Plasmodium falciparum transporter, putative 0.0139 0.045 0.5
Brugia malayi IPT/TIG domain containing protein 0.0124 0.0324 0.0414
Echinococcus granulosus insulin receptor 0.0095 0.0059 0.0005
Loa Loa (eye worm) hypothetical protein 0.0124 0.0324 0.0414
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0095 0.0059 0.0008
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0104 0.0141 0.0088
Onchocerca volvulus 0.0816 0.6571 1
Echinococcus multilocularis transcription factor collier 0.0124 0.0324 0.0414
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0139 0.045 0.0609
Schistosoma mansoni tyrosine kinase 0.0131 0.0387 0.0589
Loa Loa (eye worm) hypothetical protein 0.0104 0.0141 0.0135
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0139 0.045 0.0685
Schistosoma mansoni sodium/chloride dependent transporter 0.0139 0.045 0.0685
Loa Loa (eye worm) hypothetical protein 0.0816 0.6571 1
Brugia malayi Protein kinase domain containing protein 0.0095 0.0059 0.0008
Onchocerca volvulus 0.0154 0.0593 0.0234
Echinococcus granulosus plexin a4 0.0804 0.6467 0.6448
Echinococcus multilocularis roundabout 2 0.0112 0.021 0.024
Echinococcus granulosus serotonin transporter 0.0816 0.6571 0.6552
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.0324 0.5
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0124 0.0324 0.5
Schistosoma mansoni vesicular amine transporter 0.0095 0.0053 0.0081
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0139 0.045 0.5
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0139 0.045 0.5
Echinococcus multilocularis semaphorin 5B 0.0284 0.1766 0.2627
Schistosoma mansoni plexin 0.068 0.5342 0.813
Brugia malayi hypothetical protein 0.0284 0.1766 0.2627
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0124 0.0324 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0139 0.045 0.0685
Schistosoma mansoni plexin 0.0396 0.2775 0.4224
Loa Loa (eye worm) hypothetical protein 0.0124 0.0324 0.0414
Loa Loa (eye worm) hypothetical protein 0.0284 0.1766 0.2627
Echinococcus granulosus transcription factor collier 0.0124 0.0324 0.0272
Loa Loa (eye worm) hypothetical protein 0.0139 0.045 0.0609
Loa Loa (eye worm) hypothetical protein 0.068 0.5342 0.8115
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0124 0.0324 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.0324 0.5
Onchocerca volvulus 0.0284 0.1766 0.2149
Loa Loa (eye worm) hypothetical protein 0.0139 0.045 0.0609
Brugia malayi Immunoglobulin I-set domain containing protein 0.0301 0.1923 0.2868
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0139 0.045 0.0399
Schistosoma mansoni tyrosine kinase 0.0095 0.0059 0.0089
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0139 0.045 0.0399
Loa Loa (eye worm) hypothetical protein 0.0124 0.0324 0.0414
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0139 0.045 0.0609
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.0324 0.5
Schistosoma mansoni hypothetical protein 0.0284 0.1766 0.2687
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0139 0.045 0.0685
Plasmodium vivax hypothetical protein, conserved 0.0139 0.045 0.5
Schistosoma mansoni semaphorin 5-related 0.0284 0.1766 0.2687
Loa Loa (eye worm) hypothetical protein 0.0284 0.1766 0.2627
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0095 0.0053 0.0081
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0139 0.045 0.0609
Loa Loa (eye worm) hypothetical protein 0.0112 0.021 0.024
Echinococcus multilocularis epidermal growth factor receptor 0.0209 0.1084 0.1581
Schistosoma mansoni sodium/chloride dependent transporter 0.0816 0.6571 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.0209 0.1084 0.1581
Loa Loa (eye worm) hypothetical protein 0.0139 0.045 0.0609
Loa Loa (eye worm) sema domain-containing protein 0.0284 0.1766 0.2627
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0139 0.045 0.0609
Echinococcus multilocularis sodium and chloride dependent glycine 0.0139 0.045 0.0609
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0816 0.6571 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0139 0.045 0.0399
Brugia malayi Furin-like cysteine rich region family protein 0.0209 0.1084 0.1581
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.0324 0.5
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0131 0.0387 0.0335
Onchocerca volvulus 0.068 0.5342 0.7993
Loa Loa (eye worm) solute carrier family 6 member 4 0.0816 0.6571 1
Loa Loa (eye worm) hypothetical protein 0.0284 0.1766 0.2627
Loa Loa (eye worm) TK/INSR protein kinase 0.0095 0.0059 0.0008
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0124 0.0324 0.5
Schistosoma mansoni hypothetical protein 0.0124 0.0324 0.0492
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0301 0.1923 0.2868
Echinococcus granulosus sodium and chloride dependent glycine 0.0139 0.045 0.0399
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.0324 0.5
Plasmodium vivax amine transporter, putative 0.0139 0.045 0.5
Brugia malayi DNA-binding protein LAG-1 0.0124 0.0324 0.0414
Treponema pallidum sodium- and chloride- dependent transporter 0.0816 0.6571 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0205 0.1049 0.0978
Plasmodium falciparum amino acid transporter, putative 0.0139 0.045 0.5
Loa Loa (eye worm) hypothetical protein 0.0396 0.2775 0.4176
Echinococcus multilocularis serotonin transporter 0.0816 0.6571 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.045 0.0609
Brugia malayi Sema domain containing protein 0.0284 0.1766 0.2627
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0139 0.045 0.0399
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0139 0.045 0.0685
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0095 0.0053 0.0081
Loa Loa (eye worm) hypothetical protein 0.0284 0.1766 0.2627
Echinococcus multilocularis neuroglian 0.0102 0.0122 0.0106
Loa Loa (eye worm) serotonin transporter b 0.0816 0.6571 1
Loa Loa (eye worm) hypothetical protein 0.0284 0.1766 0.2627
Brugia malayi hypothetical protein 0.0284 0.1766 0.2627
Brugia malayi hypothetical protein 0.0139 0.045 0.0609
Loa Loa (eye worm) sema domain-containing protein 0.0284 0.1766 0.2627
Echinococcus granulosus epidermal growth factor receptor 0.0131 0.0387 0.0335
Echinococcus granulosus twitchin 0.0102 0.0122 0.0069
Entamoeba histolytica protein kinase domain containing protein 0.0167 0.071 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0816 0.6571 1
Loa Loa (eye worm) norepinephrine transporter 0.0816 0.6571 1
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0139 0.045 0.0609
Loa Loa (eye worm) hypothetical protein 0.0816 0.6571 1
Schistosoma mansoni tyrosine kinase 0.0131 0.0387 0.0589
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.0324 0.5
Loa Loa (eye worm) plexin A 0.0804 0.6467 0.984
Loa Loa (eye worm) hypothetical protein 0.0124 0.0324 0.0414
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0139 0.045 0.0685
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0139 0.045 0.0609
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0095 0.0059 0.0005
Echinococcus multilocularis insulin receptor 0.0095 0.0059 0.0008
Echinococcus multilocularis epidermal growth factor receptor 0.0131 0.0387 0.0512
Echinococcus multilocularis exocyst complex component 2 0.0124 0.0324 0.0414
Schistosoma mansoni tyrosine kinase 0.0095 0.0059 0.0089
Echinococcus multilocularis hypothetical protein 0.0284 0.1766 0.2627
Brugia malayi Sema domain containing protein 0.0284 0.1766 0.2627
Loa Loa (eye worm) hypothetical protein 0.0112 0.021 0.024
Toxoplasma gondii hypothetical protein 0.0139 0.045 0.5
Loa Loa (eye worm) hypothetical protein 0.0139 0.045 0.0609
Toxoplasma gondii hypothetical protein 0.0139 0.045 0.5
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0139 0.045 0.0685
Loa Loa (eye worm) hypothetical protein 0.0139 0.045 0.0609
Loa Loa (eye worm) hypothetical protein 0.0816 0.6571 1

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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