Detailed information for compound 1146170

Basic information

Technical information
  • TDR Targets ID: 1146170
  • Name: 4-phenyl-3-[1-(thiophen-2-ylmethyl)piperidin- 4-yl]-1,4-dihydroquinazolin-2-one
  • MW: 403.54 | Formula: C24H25N3OS
  • H donors: 1 H acceptors: 1 LogP: 4.18 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2ccccc2C(N1C1CCN(CC1)Cc1cccs1)c1ccccc1
  • InChi: 1S/C24H25N3OS/c28-24-25-22-11-5-4-10-21(22)23(18-7-2-1-3-8-18)27(24)19-12-14-26(15-13-19)17-20-9-6-16-29-20/h1-11,16,19,23H,12-15,17H2,(H,25,28)
  • InChiKey: CZBBMHDLBCBPPI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-phenyl-3-[1-(2-thienylmethyl)-4-piperidyl]-1,4-dihydroquinazolin-2-one
  • 4-phenyl-3-[1-(2-thienylmethyl)-4-piperidinyl]-1,4-dihydroquinazolin-2-one

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 histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0357 0.0357
Brugia malayi Pre-SET motif family protein 0.0208 0.5363 0.8695
Onchocerca volvulus 0.0114 0.2731 0.4083
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0057 0.021
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0456 0.0653
Entamoeba histolytica hypothetical protein 0.0023 0.0176 1
Schistosoma mansoni hypothetical protein 0.0048 0.0874 0.3199
Brugia malayi MH2 domain containing protein 0.0119 0.2871 0.4612
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0456 0.0653
Giardia lamblia Pyruvate kinase 0.0033 0.0456 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0804 0.1223
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0057 0.0057
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.2871 0.4612
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0057 0.0057
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0057 0.0057
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.5363 0.8695
Loa Loa (eye worm) pyruvate kinase-PB 0.0023 0.0172 0.0188
Chlamydia trachomatis pyruvate kinase 0.0033 0.0456 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0357 0.1309
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0057 0.0057
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0456 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0057 0.0057
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0176 0.3857
Mycobacterium ulcerans pyruvate kinase 0.0033 0.0456 1
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0057 0.0057
Echinococcus granulosus inhibitor of apoptosis protein 0.0114 0.2731 0.2731
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0114 0.2731 0.2731
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0057 0.021
Echinococcus multilocularis apoptotic protease activating factor 1 0.0037 0.0567 0.0567
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0057 0.021
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0456 0.0169
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.0057 0.0057
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0057 0.021
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0456 0.0652
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0057 0.0057
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0057 0.021
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0057 0.021
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0057 0.0057
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0057 0.021
Echinococcus multilocularis expressed protein 0.0373 1 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0033 0.0456 1
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0114 0.2731 0.4382
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0357 0.784
Brugia malayi hypothetical protein 0.0237 0.6159 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0057 0.0057
Echinococcus multilocularis caspase 2 0.0037 0.0567 0.0567
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0357 0.0357
Loa Loa (eye worm) hypothetical protein 0.0237 0.6159 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0804 0.2943
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0176 0.3857
Leishmania major pyruvate kinase 0.0033 0.0456 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0804 0.2943
Echinococcus granulosus apoptotic protease activating factor 1 0.0037 0.0567 0.0567
Plasmodium vivax SET domain protein, putative 0.003 0.0357 0.784
Echinococcus granulosus pyruvate kinase 0.0033 0.0456 0.0456
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0114 0.2731 0.4382
Trypanosoma brucei pyruvate kinase 1 0.0033 0.0456 1
Echinococcus granulosus caspase 2 0.0037 0.0567 0.0567
Toxoplasma gondii pyruvate kinase PyK1 0.0033 0.0456 1
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0057 0.021
Echinococcus multilocularis inhibitor of apoptosis protein 0.0114 0.2731 0.2731
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0804 0.1223
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.0057 0.0057
Onchocerca volvulus Deterin homolog 0.0114 0.2731 0.4083
Loa Loa (eye worm) hypothetical protein 0.0083 0.1854 0.2944
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0176 0.3857
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0023 0.0176 0.5
Onchocerca volvulus 0.0037 0.0567 0.0361
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0057 0.0057
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0057 0.021
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0057 0.0057
Schistosoma mansoni hypothetical protein 0.0037 0.0567 0.2076
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.0057 0.0057
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0057 0.021
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0804 0.0804
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0327 0.0327
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0804 0.0804
Trichomonas vaginalis set domain proteins, putative 0.0237 0.617 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0357 0.0357
Onchocerca volvulus 0.0048 0.0874 0.0888
Echinococcus multilocularis L aminoadipate semialdehyde 0.0083 0.1854 0.1854
Plasmodium vivax pyruvate kinase, putative 0.0033 0.0456 1
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0057 0.021
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.2871 0.4612
Schistosoma mansoni hypothetical protein 0.0114 0.2731 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0567 0.0835
Echinococcus granulosus survival motor neuron protein 1 0.0237 0.6159 0.6159
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0804 0.0804
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0057 0.021
Brugia malayi Cell death protein 3 precursor 0.0037 0.0567 0.0835
Entamoeba histolytica pyruvate kinase, putative 0.0023 0.0172 0.9717
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0357 0.1309
Leishmania major pyruvate kinase 0.0033 0.0456 1
Schistosoma mansoni pyruvate kinase 0.0033 0.0456 0.1669
Mycobacterium leprae Probable pyruvate kinase PykA 0.0033 0.0456 1
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0456 0.0169
Echinococcus granulosus L aminoadipate semialdehyde 0.0083 0.1854 0.1854
Loa Loa (eye worm) hypothetical protein 0.0114 0.2731 0.4382
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0057 0.021
Plasmodium falciparum pyruvate kinase 0.0033 0.0456 1
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0057 0.0057
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0083 0.1854 0.6788
Echinococcus multilocularis pyruvate kinase 0.0033 0.0456 0.0456
Loa Loa (eye worm) hypothetical protein 0.003 0.0357 0.0492
Schistosoma mansoni inhibitor of apoptosis protein 0.0114 0.2731 1
Onchocerca volvulus Cell death protein 3 homolog 0.0037 0.0567 0.0361
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0804 0.0804
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.0057 0.021
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.0057 0.0057
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0057 0.0057
Schistosoma mansoni survival motor neuron protein 0.0048 0.0874 0.3199
Schistosoma mansoni caspase-7 (C14 family) 0.0037 0.0567 0.2076
Onchocerca volvulus 0.0237 0.617 1
Echinococcus granulosus pyruvate kinase 0.0033 0.0456 0.0456
Loa Loa (eye worm) hypothetical protein 0.0023 0.0172 0.0188
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0357 0.1309
Trichomonas vaginalis pyruvate kinase, putative 0.0033 0.0456 0.0652
Onchocerca volvulus 0.0083 0.1854 0.2574
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0176 0.3857
Onchocerca volvulus Pyruvate kinase homolog 0.0033 0.0456 0.0169
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0114 0.2731 0.2731
Loa Loa (eye worm) hypothetical protein 0.0037 0.0567 0.0835
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0114 0.2731 1
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0057 0.0057
Echinococcus multilocularis survival motor neuron protein 1 0.0237 0.6159 0.6159
Loa Loa (eye worm) hypothetical protein 0.0033 0.0456 0.0653
Loa Loa (eye worm) pyruvate kinase 0.0033 0.0456 0.0653
Echinococcus multilocularis pyruvate kinase 0.0033 0.0456 0.0456
Schistosoma mansoni pyruvate kinase 0.0033 0.0456 0.1669
Trypanosoma brucei pyruvate kinase 1, putative 0.0033 0.0456 1
Loa Loa (eye worm) hypothetical protein 0.0114 0.2731 0.4382
Trypanosoma cruzi pyruvate kinase 2, putative 0.0033 0.0456 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0357 0.1309
Brugia malayi hypothetical protein 0.0037 0.0567 0.0835
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0023 0.0176 0.5
Echinococcus multilocularis pyruvate kinase 0.0026 0.0259 0.0259
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.0057 0.0057
Brugia malayi Pre-SET motif family protein 0.003 0.0357 0.0492
Brugia malayi Pyruvate kinase, muscle isozyme 0.0033 0.0456 0.0653
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0083 0.1854 0.2944
Brugia malayi Pyruvate kinase, M2 isozyme 0.0033 0.0456 0.0653
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0804 0.2943
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0874 0.1337

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.