Detailed information for compound 1290586

Basic information

Technical information
  • TDR Targets ID: 1290586
  • Name: 2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]su lfanyl-N-(2,3-dihydro-1H-inden-5-yl)acetamide
  • MW: 461.963 | Formula: C25H20ClN3O2S
  • H donors: 1 H acceptors: 2 LogP: 5.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc2c(c1)CCC2)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl
  • InChi: 1S/C25H20ClN3O2S/c26-18-9-12-20(13-10-18)29-24(31)21-6-1-2-7-22(21)28-25(29)32-15-23(30)27-19-11-8-16-4-3-5-17(16)14-19/h1-2,6-14H,3-5,15H2,(H,27,30)
  • InChiKey: YHQXHFNMHGEQPU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-indan-5-yl-acetamide
  • 2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(5-indanyl)acetamide
  • 2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-indan-5-yl-acetamide
  • 2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2,3-dihydro-1H-inden-5-yl)ethanamide
  • T5293221

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
Mycobacterium ulcerans esterase/lipase LipP 0.0038 0.0214 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0678 1
Echinococcus granulosus cytoplasmic intermediate filament protein 0.003 0.0118 0.0118
Echinococcus granulosus intermediate filament protein 0.0063 0.0537 0.0537
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0214 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0106 0.1086 0.1696
Mycobacterium ulcerans hypothetical protein 0.0038 0.0214 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0084 0.0815 0.0815
Schistosoma mansoni hypothetical protein 0.0084 0.0815 0.0815
Schistosoma mansoni lamin 0.0063 0.0537 0.0537
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0214 0.0334
Echinococcus multilocularis mothers against decapentaplegic 5 0.0035 0.0183 0.0183
Leishmania major hypothetical protein, conserved 0.0038 0.0214 0.124
Leishmania major cathepsin L-like protease 0.0074 0.0678 0.4568
Leishmania major cathepsin L-like protease 0.0074 0.0678 0.4568
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0214 0.0334
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0133 0.1435 1
Schistosoma mansoni smad1 5 8 and 0.0035 0.0183 0.0183
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0678 1
Onchocerca volvulus 0.0038 0.0214 0.3992
Loa Loa (eye worm) MH1 domain-containing protein 0.0035 0.0183 0.0286
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0263 0.3112 0.3112
Loa Loa (eye worm) hypothetical protein 0.0334 0.4021 0.6277
Loa Loa (eye worm) hypothetical protein 0.0029 0.0104 0.0162
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.003 0.0118 0.0118
Echinococcus granulosus tumor protein p63 0.0391 0.475 0.475
Onchocerca volvulus 0.0024 0.0041 0.0771
Echinococcus multilocularis lamin 0.0063 0.0537 0.0537
Echinococcus multilocularis musashi 0.0063 0.0537 0.0537
Schistosoma mansoni choline o-acyltransferase 0.0024 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0106 0.1086 0.1086
Brugia malayi intermediate filament protein 0.0063 0.0537 0.0838
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0214 0.5
Echinococcus granulosus carnitine O palmitoyltransferase 1 liver 0.0133 0.1435 0.1435
Echinococcus multilocularis GPCR, family 2 0.0106 0.1086 0.1086
Onchocerca volvulus 0.0063 0.0537 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0035 0.0183 0.0183
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0678 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0678 1
Echinococcus granulosus choline O acetyltransferase 0.0024 0.0041 0.0041
Mycobacterium leprae Probable lipase LipE 0.0038 0.0214 0.5
Brugia malayi MH2 domain containing protein 0.0035 0.0183 0.0286
Echinococcus multilocularis thyroid hormone receptor alpha 0.0284 0.3383 0.3383
Loa Loa (eye worm) Smad1 0.0035 0.0183 0.0286
Schistosoma mansoni hypothetical protein 0.0106 0.1086 0.1086
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0067 0.0596 0.3977
Schistosoma mansoni choline o-acyltransferase 0.0024 0.0041 0.0041
Entamoeba histolytica hypothetical protein 0.0084 0.0815 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0084 0.0815 0.0815
Brugia malayi Smad1 0.0035 0.0183 0.0286
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0024 0.0041 0.0065
Loa Loa (eye worm) intermediate filament protein 0.0063 0.0537 0.0838
Schistosoma mansoni intermediate filament proteins 0.0063 0.0537 0.0537
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0678 1
Loa Loa (eye worm) hypothetical protein 0.0228 0.2663 0.4156
Mycobacterium ulcerans lipase LipD 0.0038 0.0214 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0241 0.2832 1
Onchocerca volvulus 0.0038 0.0214 0.3992
Schistosoma mansoni smad1 5 8 and 0.0035 0.0183 0.0183
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0106 0.1086 0.1086
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0024 0.0041 0.0065
Schistosoma mansoni cellular tumor antigen P53 0.0057 0.0463 0.0463
Brugia malayi Latrophilin receptor protein 2 0.0106 0.1086 0.1696
Brugia malayi MH1 domain containing protein 0.0035 0.0183 0.0286
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0334 0.4021 0.6277
Trypanosoma cruzi cysteine peptidase, putative 0.0074 0.0678 0.4568
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0106 0.1086 0.1086
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0106 0.1086 0.1086
Loa Loa (eye worm) choline O-acetyltransferase 0.0024 0.0041 0.0065
Trichomonas vaginalis esterase, putative 0.0038 0.0214 0.5
Onchocerca volvulus 0.0063 0.0537 1
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0214 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0678 1
Leishmania major choline/Carnitine o-acyltransferase-like protein 0.0133 0.1435 1
Schistosoma mansoni smad 0.0035 0.0183 0.0183
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0334 0.4021 0.6277
Loa Loa (eye worm) choline/Carnitine O-acyltransferase 0.0024 0.0041 0.0065
Onchocerca volvulus 0.0057 0.0463 0.8637
Brugia malayi MH1 domain containing protein 0.0035 0.0183 0.0286
Loa Loa (eye worm) beta-lactamase 0.0038 0.0214 0.0334
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0214 0.0214
Echinococcus granulosus smad 0.0035 0.0183 0.0183
Entamoeba histolytica hypothetical protein 0.0084 0.0815 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0214 0.124
Brugia malayi beta-lactamase family protein 0.0038 0.0214 0.0334
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0084 0.0815 0.0815
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0214 0.5
Loa Loa (eye worm) carnitine O-palmitoyltransferase I isoform 0.0024 0.0041 0.0065
Loa Loa (eye worm) latrophilin receptor protein 2 0.0106 0.1086 0.1696
Echinococcus multilocularis carnitine O palmitoyltransferase 2 0.0024 0.0041 0.0041
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0214 0.0214
Echinococcus multilocularis tumor protein p63 0.0391 0.475 0.475
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0214 0.2715
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0214 0.0214
Brugia malayi hypothetical protein 0.0084 0.0815 0.1272
Leishmania major cathepsin L-like protease 0.0074 0.0678 0.4568
Loa Loa (eye worm) hypothetical protein 0.0063 0.0537 0.0838
Schistosoma mansoni hypothetical protein 0.0263 0.3112 0.3112
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0678 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0106 0.1086 0.1086
Echinococcus granulosus carnitine O palmitoyltransferase 2 0.0024 0.0041 0.0041
Echinococcus multilocularis lamin dm0 0.0063 0.0537 0.0537
Brugia malayi MH2 domain containing protein 0.0035 0.0183 0.0286
Loa Loa (eye worm) hypothetical protein 0.003 0.0118 0.0185
Schistosoma mansoni hypothetical protein 0.0106 0.1086 0.1086
Loa Loa (eye worm) hypothetical protein 0.0029 0.0104 0.0162
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0038 0.0214 0.5
Brugia malayi Choline O-acetyltransferase 0.0024 0.0041 0.0065
Brugia malayi latrophilin 2 splice variant baaae 0.0228 0.2663 0.4156
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0678 1
Schistosoma mansoni lamin 0.0063 0.0537 0.0537
Echinococcus multilocularis Smad4 0.0035 0.0183 0.0183
Brugia malayi cytoplasmic intermediate filament protein 0.0034 0.0161 0.0252
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0063 0.0537 0.0838
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0214 0.124
Brugia malayi Intermediate filament tail domain containing protein 0.0063 0.0537 0.0838
Loa Loa (eye worm) hypothetical protein 0.0038 0.0214 0.0334
Entamoeba histolytica hypothetical protein 0.0084 0.0815 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0678 1
Onchocerca volvulus 0.0024 0.0041 0.0771
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0214 0.5
Schistosoma mansoni hypothetical protein 0.0106 0.1086 0.1086
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0214 0.0214
Echinococcus granulosus lamin dm0 0.0063 0.0537 0.0537
Loa Loa (eye worm) hypothetical protein 0.0038 0.0214 0.0334
Echinococcus granulosus lamin 0.0063 0.0537 0.0537
Schistosoma mansoni hypothetical protein 0.0228 0.2663 0.2663
Schistosoma mansoni thyroid hormone receptor 0.0284 0.3383 0.3383
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0678 1
Brugia malayi Choline O-acetyltransferase 0.0024 0.0041 0.0065
Echinococcus granulosus mothers against decapentaplegic 5 0.0035 0.0183 0.0183
Echinococcus granulosus GPCR family 2 0.0106 0.1086 0.1086
Trypanosoma cruzi choline/carnitine O-acyltransferase, putative 0.0133 0.1435 1
Schistosoma mansoni thyroid hormone receptor 0.0284 0.3383 0.3383
Loa Loa (eye worm) hypothetical protein 0.0038 0.0214 0.0334
Entamoeba histolytica hypothetical protein 0.0084 0.0815 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0034 0.0161 0.0252
Echinococcus multilocularis choline O acetyltransferase 0.0024 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0133 0.1435 0.224
Echinococcus granulosus Smad4 0.0035 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0062 0.0522 0.0815
Toxoplasma gondii ABC1 family protein 0.0038 0.0214 0.5
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0214 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0074 0.0678 0.4568
Brugia malayi MH2 domain containing protein 0.0519 0.6406 1
Onchocerca volvulus 0.0024 0.0041 0.0771
Brugia malayi beta-lactamase family protein 0.0038 0.0214 0.0334
Schistosoma mansoni smad1 5 8 and 0.0035 0.0183 0.0183
Mycobacterium ulcerans beta-lactamase 0.0038 0.0214 0.5
Brugia malayi Choline/Carnitine o-acyltransferase family protein 0.0133 0.1435 0.224
Echinococcus multilocularis smad 0.0035 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.0024 0.0041 0.0065
Loa Loa (eye worm) MH2 domain-containing protein 0.0519 0.6406 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0214 0.0334
Brugia malayi beta-lactamase 0.0038 0.0214 0.0334
Loa Loa (eye worm) hypothetical protein 0.0038 0.0214 0.0334
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0074 0.0678 1
Loa Loa (eye worm) transcription factor SMAD2 0.0519 0.6406 1
Onchocerca volvulus 0.0038 0.0214 0.3992
Schistosoma mansoni Smad4 0.0035 0.0183 0.0183
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0214 0.5
Trypanosoma cruzi major cysteine proteinase, putative 0.0058 0.0475 0.311
Trypanosoma cruzi cysteine peptidase, putative 0.0074 0.0678 0.4568
Onchocerca volvulus 0.0024 0.0041 0.0771
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0035 0.0183 0.0183
Brugia malayi Calcitonin receptor-like protein seb-1 0.0334 0.4021 0.6277
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0263 0.3112 0.3112
Loa Loa (eye worm) hypothetical protein 0.0057 0.0463 0.0723
Loa Loa (eye worm) hypothetical protein 0.0106 0.1086 0.1696
Echinococcus multilocularis carnitine O palmitoyltransferase 1, liver 0.0133 0.1435 0.1435
Loa Loa (eye worm) hypothetical protein 0.0038 0.0214 0.0334
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0035 0.0183 0.0183
Trypanosoma cruzi cruzipain precursor, putative 0.0074 0.0678 0.4568
Loa Loa (eye worm) MH2 domain-containing protein 0.0035 0.0183 0.0286

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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