Detailed information for compound 1380461

Basic information

Technical information
  • TDR Targets ID: 1380461
  • Name: 1-(1-acetyl-2,3-dihydroindol-5-yl)-3-(4-metho xyphenyl)urea
  • MW: 325.362 | Formula: C18H19N3O3
  • H donors: 2 H acceptors: 2 LogP: 1.85 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)NC(=O)Nc1ccc2c(c1)CCN2C(=O)C
  • InChi: 1S/C18H19N3O3/c1-12(22)21-10-9-13-11-15(5-8-17(13)21)20-18(23)19-14-3-6-16(24-2)7-4-14/h3-8,11H,9-10H2,1-2H3,(H2,19,20,23)
  • InChiKey: CEXXKAGYYBHECW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(1-acetylindolin-5-yl)-3-(4-methoxyphenyl)urea
  • 1-(1-acetyl-5-indolinyl)-3-(4-methoxyphenyl)urea
  • 1-(1-ethanoyl-2,3-dihydroindol-5-yl)-3-(4-methoxyphenyl)urea
  • ZINC01426257
  • AO-080/43378380
  • N-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-N'-(4-methoxyphenyl)urea
  • A3612/0153097

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens NADPH oxidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127219 All targets in OG5_127219
Loa Loa (eye worm) blistered cuticle protein 3 Get druggable targets OG5_127219 All targets in OG5_127219
Brugia malayi Blistered cuticle protein 3 Get druggable targets OG5_127219 All targets in OG5_127219
Onchocerca volvulus Dual oxidase homolog Get druggable targets OG5_127219 All targets in OG5_127219
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
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0334 0.53 0.5946
Brugia malayi Cathepsin L-like precursor 0.0493 0.8701 0.8701
Brugia malayi cathepsin F-like cysteine proteinase 0.0158 0.1515 0.1515
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0493 0.8701 1
Brugia malayi Cathepsin L-like precursor 0.0158 0.1515 0.1515
Brugia malayi Cathepsin L-like precursor 0.0493 0.8701 0.8701
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0493 0.8701 1
Entamoeba histolytica cysteine protease, putative 0.0261 0.3713 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0493 0.8701 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0493 0.8701 1
Leishmania major cathepsin L-like protease 0.0493 0.8701 1
Echinococcus granulosus cathepsin l1 0.0334 0.53 0.5149
Entamoeba histolytica cysteine protease, putative 0.0261 0.3713 0.4054
Onchocerca volvulus Cathepsin L homolog 0.0493 0.8701 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0553 1 1
Entamoeba histolytica cysteine protease, putative 0.0261 0.3713 0.4054
Echinococcus granulosus cathepsin L cysteine proteinase 0.0493 0.8701 0.8659
Plasmodium falciparum cysteine proteinase falcipain 3 0.0493 0.8701 1
Entamoeba histolytica cysteine protease, putative 0.0261 0.3713 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0261 0.3713 0.075
Loa Loa (eye worm) cysteine protease 0.0493 0.8701 0.8701
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0493 0.8701 1
Onchocerca volvulus 0.0334 0.53 0.6091
Echinococcus granulosus cathepsin l cysteine peptidase 0.0493 0.8701 0.8659
Echinococcus multilocularis cathepsin L cysteine protease 0.0493 0.8701 0.8659
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0242 0.3309 0.3572
Entamoeba histolytica cysteine protease, putative 0.0261 0.3713 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0334 0.53 0.5149
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0334 0.53 0.5149
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0493 0.8701 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0261 0.3713 0.351
Brugia malayi Cathepsin L-like precursor 0.0493 0.8701 0.8701
Onchocerca volvulus Cathepsin F homolog 0.0493 0.8701 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0102 0.0312 0.0312
Brugia malayi Cathepsin L-like cysteine proteinase 0.0334 0.53 0.53
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0158 0.1515 0.1515
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0261 0.3713 0.075
Brugia malayi Papain family cysteine protease containing protein 0.0102 0.0312 0.0312
Entamoeba histolytica cysteine proteinase, putative 0.0334 0.53 0.5946
Echinococcus granulosus cathepsin L 0.0261 0.3713 0.351
Trypanosoma cruzi cysteine peptidase, putative 0.0493 0.8701 0.8659
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0493 0.8701 1
Brugia malayi cathepsin L-like precursor 0.0334 0.53 0.53
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0102 0.0312 0.0312
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0158 0.1515 0.1515
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Trypanosoma cruzi cysteine protease, putative 0.0261 0.3713 0.351
Brugia malayi Cathepsin L-like precursor 0.0334 0.53 0.53
Giardia lamblia Cathepsin B precursor 0.0242 0.3309 1
Brugia malayi Cathepsin L-like precursor 0.0493 0.8701 0.8701
Entamoeba histolytica cysteine protease, putative 0.0261 0.3713 0.4054
Echinococcus granulosus cysteine protease 0.0261 0.3713 0.351
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0242 0.3309 0.3093
Leishmania major cathepsin L-like protease 0.0493 0.8701 1
Schistosoma mansoni cathepsin F (C01 family) 0.0493 0.8701 0.8659
Brugia malayi cathepsin L precursor 0.0102 0.0312 0.0312
Trypanosoma cruzi cruzipain precursor, putative 0.0158 0.1515 0.1242
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0334 0.53 0.5946
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0493 0.8701 0.8701
Giardia lamblia Cathepsin B precursor 0.0242 0.3309 1
Onchocerca volvulus 0.0493 0.8701 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0493 0.8701 1
Plasmodium vivax vivapain-2 0.0493 0.8701 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Echinococcus granulosus cathepsin L cysteine protease 0.0261 0.3713 0.351
Onchocerca volvulus 0.0493 0.8701 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0312 0.0312
Trypanosoma cruzi cysteine peptidase, putative 0.0261 0.3713 0.351
Onchocerca volvulus Cathepsin L homolog 0.0493 0.8701 1
Loa Loa (eye worm) hypothetical protein 0.0334 0.53 0.53
Onchocerca volvulus 0.0493 0.8701 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.1515 0.1515
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0493 0.8701 1
Echinococcus granulosus cathepsin b 0.0553 1 1
Loa Loa (eye worm) hypothetical protein 0.0553 1 1
Trypanosoma cruzi cysteine peptidase, putative 0.0493 0.8701 0.8659
Onchocerca volvulus 0.0493 0.8701 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0102 0.0312 0.0312
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0261 0.3713 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0493 0.8701 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Brugia malayi Papain family cysteine protease containing protein 0.0261 0.3713 0.3713
Entamoeba histolytica cysteine proteinase 2 0.0261 0.3713 0.4054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0553 1 1
Entamoeba histolytica cysteine proteinase, putative 0.0261 0.3713 0.4054
Entamoeba histolytica cysteine protease, putative 0.0261 0.3713 0.4054
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0493 0.8701 1
Trypanosoma cruzi cysteine peptidase, putative 0.0158 0.1515 0.1242
Loa Loa (eye worm) hypothetical protein 0.0102 0.0312 0.0312
Onchocerca volvulus Cathepsin L homolog 0.0102 0.0312 0.0359
Loa Loa (eye worm) hypothetical protein 0.0493 0.8701 0.8701
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0553 1 1
Leishmania major cathepsin L-like protease 0.0493 0.8701 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0242 0.3309 0.3093
Entamoeba histolytica cysteine proteinase 1, putative 0.0261 0.3713 0.4054
Leishmania major cathepsin L-like protease 0.0493 0.8701 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0493 0.8701 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0493 0.8701 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0493 0.8701 1
Leishmania major cathepsin L-like protease 0.0493 0.8701 1
Loa Loa (eye worm) hypothetical protein 0.0334 0.53 0.53
Plasmodium vivax vivapain-2 0.0493 0.8701 1
Trypanosoma cruzi cysteine proteinase, putative 0.0261 0.3713 0.351
Loa Loa (eye worm) fibroinase 0.0493 0.8701 0.8701
Plasmodium vivax vivapain-3 0.0261 0.3713 0.4054
Loa Loa (eye worm) ctsf protein 0.0493 0.8701 0.8701
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0261 0.3713 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0493 0.8701 1
Brugia malayi Cathepsin L-like precursor 0.0493 0.8701 0.8701
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0493 0.8701 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0493 0.8701 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0312 0.0312
Entamoeba histolytica cysteine protease, putative 0.0261 0.3713 0.4054
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0493 0.8701 1
Giardia lamblia Cathepsin B precursor 0.0242 0.3309 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0102 0.0312 0.0312
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0261 0.3713 0.351
Entamoeba histolytica cysteine protease, putative 0.0261 0.3713 0.4054
Entamoeba histolytica cysteine protease, putative 0.0261 0.3713 0.4054
Entamoeba histolytica cysteine protease, putative 0.0261 0.3713 0.4054
Entamoeba histolytica cysteine proteinase, putative 0.0493 0.8701 1
Trypanosoma cruzi cysteine peptidase, putative 0.0493 0.8701 0.8659
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0553 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0102 0.0312 0.0312
Echinococcus multilocularis cathepsin b 0.0553 1 1
Leishmania major cathepsin L-like protease 0.0493 0.8701 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0493 0.8701 0.8659
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0493 0.8701 0.8701
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0102 0.0312 0.0312
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Plasmodium falciparum cysteine proteinase falcipain 1 0.0261 0.3713 0.4054
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0493 0.8701 1
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0102 0.0312 0.0312
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0261 0.3713 0.351
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0493 0.8701 1
Brugia malayi Cathepsin L-like precursor 0.0493 0.8701 0.8701
Echinococcus multilocularis cysteine protease 0.0493 0.8701 0.8659
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Loa Loa (eye worm) hypothetical protein 0.0158 0.1515 0.1515
Echinococcus multilocularis cathepsin L cysteine protease 0.0493 0.8701 0.8659
Brugia malayi Papain family cysteine protease containing protein 0.0261 0.3713 0.3713
Onchocerca volvulus 0.0493 0.8701 1
Onchocerca volvulus 0.0102 0.0312 0.0359
Onchocerca volvulus 0.0493 0.8701 1
Entamoeba histolytica cysteine proteinase, putative 0.0261 0.3713 0.4054
Loa Loa (eye worm) hypothetical protein 0.0334 0.53 0.53
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0553 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0493 0.8701 0.8701
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0102 0.0312 0.0312
Brugia malayi cathepsin Z-like cysteine proteinase 0.0102 0.0312 0.0312
Leishmania major cathepsin L-like protease 0.0493 0.8701 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0493 0.8701 1
Trypanosoma cruzi cruzipain precursor, putative 0.0493 0.8701 0.8659
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0261 0.3713 0.351
Brugia malayi Papain family cysteine protease containing protein 0.0102 0.0312 0.0312
Entamoeba histolytica cysteine protease, putative 0.0261 0.3713 0.4054
Plasmodium vivax unspecified product 0.0261 0.3713 0.4054
Schistosoma mansoni cathepsin F (C01 family) 0.0493 0.8701 0.8659
Leishmania major cysteine peptidase A (CPA) 0.0493 0.8701 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0493 0.8701 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0493 0.8701 0.8659
Trypanosoma cruzi cysteine proteinase, putative 0.0261 0.3713 0.351
Toxoplasma gondii cathepsin B 0.0242 0.3309 0.3572
Entamoeba histolytica cysteine proteinase, putative 0.0493 0.8701 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0312 0.0312
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0493 0.8701 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0493 0.8701 1
Entamoeba histolytica cysteine protease, putative 0.0261 0.3713 0.4054
Brugia malayi fibroinase precursor 0.0102 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0158 0.1515 0.1515
Plasmodium vivax unspecified product 0.0158 0.1515 0.1434
Entamoeba histolytica cysteine proteinase, putative 0.0261 0.3713 0.4054
Onchocerca volvulus 0.0493 0.8701 1
Plasmodium vivax vivapain-1 0.0261 0.3713 0.4054
Entamoeba histolytica cysteine protease, putative 0.0493 0.8701 1
Leishmania major cathepsin L-like protease 0.0493 0.8701 1
Toxoplasma gondii cathepsin CPL 0.0493 0.8701 1
Echinococcus multilocularis cysteine protease 0.0493 0.8701 0.8659
Brugia malayi Cathepsin L-like precursor 0.0334 0.53 0.53
Entamoeba histolytica cysteine proteinase, putative 0.0261 0.3713 0.4054
Loa Loa (eye worm) hypothetical protein 0.0102 0.0312 0.0312
Schistosoma mansoni cathepsin s 0.0158 0.1515 0.1242
Trypanosoma cruzi cysteine peptidase, putative 0.0493 0.8701 0.8659
Echinococcus granulosus cathepsin b 0.0553 1 1
Echinococcus granulosus cathepsin l1 0.0493 0.8701 0.8659
Echinococcus multilocularis cathepsin b 0.0553 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0493 0.8701 1
Echinococcus multilocularis cathepsin L 0.0261 0.3713 0.351
Loa Loa (eye worm) cathepsin B 0.0242 0.3309 0.3309
Loa Loa (eye worm) hypothetical protein 0.0102 0.0312 0.0312

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 17 um PUBCHEM_BIOASSAY: Late-stage luminescence-based cell-based dose response assay to identify inhibitors of NADPH oxidase 1 (NOX1): Purchased analogs. (Class of assay: confirmatory) [Related pubchem assays: 2752 (Primary screen (NOX1 inhibitors, synthesized analogs set 2)), 2532 (Dose response (NOX1 inhibitors, HEK/293 cells)), 2664 (Primary screen (NOX1 inhibitors, synthesized analogs)), 1792 (Primary Screen (NOX1 inhibitors)), 2556 (Counterscreen (Xanthine oxidase inhibitors)), 2538 (Dose response screen (NOX1 inhibitors)), 1796 (Summary AID (NOX1 inhibitors)), 2773 (Primary screen (NOX1 inhibitors, synthesized analogs set 3)), 2545 (Confirmation screen (NOX1 inhibitors, HEK/293 cells)), 2539 (Counterscreen (NOX2, NOX3, NOX4 inhibitors)), 2541 (Confirmation screen (NOX1 inhibitors)), 1823 (Counterscreen (luminal))] ChEMBL. No reference

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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