Detailed information for compound 1703953

Basic information

Technical information
  • TDR Targets ID: 1703953
  • Name: 2-(1,3-benzoxazol-2-ylamino)-4-(2-methoxyphen yl)-7,7-dimethyl-1,4,6,8-tetrahydroquinazolin -5-one
  • MW: 416.472 | Formula: C24H24N4O3
  • H donors: 2 H acceptors: 2 LogP: 3.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C1N=C(Nc2nc3c(o2)cccc3)NC2=C1C(=O)CC(C2)(C)C
  • InChi: 1S/C24H24N4O3/c1-24(2)12-16-20(17(29)13-24)21(14-8-4-6-10-18(14)30-3)27-22(25-16)28-23-26-15-9-5-7-11-19(15)31-23/h4-11,21H,12-13H2,1-3H3,(H2,25,26,27,28)
  • InChiKey: RLSLGXJZLLZCSF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • STK213089

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
Schistosoma mansoni tubulin subunit beta 0.0114 0.5156 0.5156
Plasmodium vivax tubulin alpha chain, putative 0.0186 0.8949 1
Loa Loa (eye worm) tubulin alpha chain 0.0186 0.8949 1
Schistosoma mansoni tubulin subunit alpha 0.0186 0.8949 0.8949
Giardia lamblia Beta tubulin 0.0114 0.5156 0.4924
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Schistosoma mansoni tubulin subunit gamma 0.0103 0.4572 0.4572
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Schistosoma mansoni tubulin subunit beta 0.0114 0.5156 0.5156
Trichomonas vaginalis tubulin, putative 0.0114 0.5156 0.4924
Trichomonas vaginalis tubulin epsilon chain, putative 0.0186 0.8949 1
Trichomonas vaginalis tubulin beta chain, putative 0.0186 0.8949 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0045 0.1476 0.1649
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0045 0.1476 0.1649
Trypanosoma brucei alpha tubulin 0.0186 0.8949 1
Loa Loa (eye worm) alpha-tubulin isotype 2 0.0141 0.6573 0.7345
Trichomonas vaginalis tubulin beta chain, putative 0.0186 0.8949 1
Leishmania major alpha tubulin 0.0186 0.8949 1
Plasmodium falciparum tubulin epsilon chain, putative 0.0103 0.4572 0.5109
Toxoplasma gondii alpha-tubulin I, putative 0.0186 0.8949 1
Schistosoma mansoni tubulin subunit alpha 0.0045 0.1476 0.1476
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1706 0.1706
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Toxoplasma gondii beta-tubulin, putative 0.0114 0.5156 0.5761
Trichomonas vaginalis tubulin epsilon chain, putative 0.0114 0.5156 0.4924
Echinococcus granulosus tubulin alpha chain 0.0186 0.8949 0.8949
Plasmodium vivax tubulin epsilon chain, putative 0.0103 0.4572 0.5109
Loa Loa (eye worm) tubulin beta-2A chain 0.0114 0.5156 0.5761
Echinococcus granulosus tubulin alpha chain 0.0186 0.8949 0.8949
Echinococcus multilocularis tubulin alpha chain 0.0186 0.8949 0.8949
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0141 0.6573 0.682
Plasmodium falciparum tubulin gamma chain 0.0103 0.4572 0.5109
Trichomonas vaginalis tubulin gamma chain, putative 0.0103 0.4572 0.4143
Schistosoma mansoni tubulin subunit epsilon 0.0103 0.4572 0.4572
Trypanosoma cruzi epsilon tubulin, putative 0.0103 0.4572 0.5109
Trypanosoma cruzi zeta tubulin, putative 0.0045 0.1476 0.1649
Brugia malayi Tubulin alpha chain 0.0186 0.8949 1
Brugia malayi tubulin alpha-2 chain 0.0186 0.8949 1
Leishmania major epsilon tubulin, putative 0.0103 0.4572 0.5109
Echinococcus granulosus Tubulin beta 2C chain 0.0114 0.5156 0.5156
Echinococcus multilocularis geminin 0.0206 1 1
Echinococcus multilocularis tubulin subunit TubB 0.0186 0.8949 0.8949
Echinococcus multilocularis Tubulin alpha 1 chain 0.0186 0.8949 0.8949
Leishmania major alpha tubulin 0.0186 0.8949 1
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Schistosoma mansoni alpha tubulin 0.0186 0.8949 0.8949
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Schistosoma mansoni tubulin subunit beta 0.0114 0.5156 0.5156
Trichomonas vaginalis tubulin beta chain, putative 0.0186 0.8949 1
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Echinococcus multilocularis Tubulin alpha 1 chain 0.0186 0.8949 0.8949
Leishmania major alpha tubulin 0.0186 0.8949 1
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Trichomonas vaginalis tubulin gamma chain, putative 0.0114 0.5156 0.4924
Echinococcus multilocularis Tubulin alpha 1 chain 0.0186 0.8949 0.8949
Toxoplasma gondii beta-1 tubulin, putative 0.0114 0.5156 0.5761
Leishmania major alpha tubulin 0.0186 0.8949 1
Loa Loa (eye worm) tubulin alpha 2 0.0141 0.6573 0.7345
Loa Loa (eye worm) tubulin alpha chain 0.0186 0.8949 1
Leishmania major zeta tubulin, putative 0.0045 0.1476 0.1649
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.1706 0.1906
Giardia lamblia Beta tubulin 0.0114 0.5156 0.4924
Loa Loa (eye worm) beta-tubulin 0.0114 0.5156 0.5761
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1706 0.1706
Plasmodium vivax tubulin beta chain, putative 0.0114 0.5156 0.5761
Loa Loa (eye worm) BEN-1 protein 0.0114 0.5156 0.5761
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Echinococcus multilocularis tubulin alpha 0.0103 0.4572 0.4572
Treponema pallidum cell division protein FtsZ 0.0045 0.1476 0.5
Echinococcus multilocularis tubulin epsilon chain 0.0103 0.4572 0.4572
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Echinococcus multilocularis tubulin alpha 1C chain 0.0186 0.8949 0.8949
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0186 0.8949 1
Loa Loa (eye worm) hypothetical protein 0.0128 0.5853 0.654
Mycobacterium leprae cell division protein FtsZ 0.0045 0.1476 0.5
Echinococcus granulosus tubulin beta 4A class IVa 0.0114 0.5156 0.5156
Echinococcus multilocularis hypothetical protein 0.0186 0.8949 0.8949
Trypanosoma cruzi alpha tubulin, putative 0.0186 0.8949 1
Loa Loa (eye worm) BEN-1 protein 0.0114 0.5156 0.5761
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Trypanosoma brucei alpha tubulin, putative 0.0058 0.2196 0.2454
Trypanosoma brucei epsilon tubulin 0.0103 0.4572 0.5109
Trypanosoma cruzi tubulin delta chain 0.0045 0.1476 0.1649
Trypanosoma brucei tubulin gamma chain 0.0103 0.4572 0.5109
Loa Loa (eye worm) hypothetical protein 0.0186 0.8949 1
Brugia malayi Tubulin alpha-2 chain 0.0186 0.8949 1
Giardia lamblia Alpha-tubulin 0.0186 0.8949 1
Echinococcus multilocularis beta tubulin 0.0114 0.5156 0.5156
Loa Loa (eye worm) tubulin beta chain 0.0114 0.5156 0.5761
Trichomonas vaginalis tubulin beta chain, putative 0.0058 0.2196 0.0964
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0114 0.5156 0.5156
Echinococcus granulosus tubulin alpha 1C chain 0.0186 0.8949 0.8949
Trypanosoma brucei beta tubulin 0.0114 0.5156 0.5761
Plasmodium vivax tubulin alpha chain, putative 0.0186 0.8949 1
Trichomonas vaginalis tubulin beta chain, putative 0.0186 0.8949 1
Schistosoma mansoni tubulin subunit beta 0.0114 0.5156 0.5156
Entamoeba histolytica tubulin family protein 0.0114 0.5156 0.1333
Schistosoma mansoni tubulin subunit beta 0.0114 0.5156 0.5156
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1706 0.1706
Echinococcus granulosus tubulin alpha chain 0.0186 0.8949 0.8949
Echinococcus multilocularis tubulin alpha chain 0.0186 0.8949 0.8949
Echinococcus granulosus Tubulin beta 2C chain 0.0114 0.5156 0.5156
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Brugia malayi tubulin alpha chain - mouse 0.0186 0.8949 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0186 0.8949 0.8949
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.1706 0.1706
Echinococcus multilocularis Tubulin beta 2C chain 0.0114 0.5156 0.5156
Loa Loa (eye worm) tubulin beta-1 chain 0.0114 0.5156 0.5761
Echinococcus granulosus Tubulin alpha 1 chain 0.0186 0.8949 0.8949
Echinococcus granulosus beta tubulin 0.0114 0.5156 0.5156
Trichomonas vaginalis tubulin epsilon chain, putative 0.0186 0.8949 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0103 0.4572 0.4572
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.1706 0.1906
Echinococcus multilocularis tubulin delta chain 0.0045 0.1476 0.1476
Trypanosoma brucei alpha tubulin 0.0186 0.8949 1
Echinococcus granulosus beta tubulin 0.0114 0.5156 0.5156
Leishmania major delta tubulin, putative 0.0045 0.1476 0.1649
Brugia malayi alpha-tubulin 0.0186 0.8949 1
Schistosoma mansoni alpha tubulin 0.0186 0.8949 0.8949
Onchocerca volvulus 0.0058 0.2196 0.5
Echinococcus granulosus tubulin gamma 1 chain 0.0103 0.4572 0.4572
Echinococcus granulosus tubulin subunit beta 0.0114 0.5156 0.5156
Trypanosoma brucei alpha tubulin 0.0186 0.8949 1
Echinococcus multilocularis tubulin alpha chain 0.0186 0.8949 0.8949
Trypanosoma cruzi beta tubulin, putative 0.0114 0.5156 0.5761
Echinococcus multilocularis tubulin beta 1 chain 0.0114 0.5156 0.5156
Loa Loa (eye worm) tubulin beta chain 0.0045 0.1476 0.1649
Trypanosoma brucei epsilon tubulin 0.0103 0.4572 0.5109
Trichomonas vaginalis tubulin, putative 0.0058 0.2196 0.0964
Trichomonas vaginalis tubulin alpha chain, putative 0.0114 0.5156 0.4924
Trypanosoma cruzi zeta tubulin, putative 0.0045 0.1476 0.1649
Trypanosoma brucei zeta tubulin, putative 0.0045 0.1476 0.1649
Trypanosoma brucei beta tubulin 0.0114 0.5156 0.5761
Mycobacterium tuberculosis Cell division protein FtsZ 0.0045 0.1476 1
Schistosoma mansoni tubulin subunit alpha 0.0186 0.8949 0.8949
Leishmania major alpha tubulin 0.0186 0.8949 1
Plasmodium vivax delta tubulin, putative 0.0045 0.1476 0.1649
Echinococcus granulosus tubulin delta chain 0.0045 0.1476 0.1476
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0103 0.4572 0.5109
Trichomonas vaginalis tubulin beta chain, putative 0.0186 0.8949 1
Echinococcus multilocularis tubulin subunit beta 0.0114 0.5156 0.5156
Loa Loa (eye worm) alpha-tubulin 0.0186 0.8949 1
Schistosoma mansoni tubulin subunit beta 0.0114 0.5156 0.5156
Echinococcus granulosus tubulin beta 1 chain 0.0114 0.5156 0.5156
Echinococcus multilocularis Tubulin beta 2C chain 0.0114 0.5156 0.5156
Loa Loa (eye worm) tubulin beta-4 chain 0.0114 0.5156 0.5761
Trichomonas vaginalis tubulin alpha chain, putative 0.0058 0.2196 0.0964
Schistosoma mansoni tubulin subunit beta 0.0045 0.1476 0.1476
Loa Loa (eye worm) tubulin alpha-2 chain 0.0186 0.8949 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1706 0.1706
Entamoeba histolytica tubulin family protein 0.0114 0.5156 0.1333
Trypanosoma cruzi epsilon tubulin, putative 0.0103 0.4572 0.5109
Leishmania major alpha tubulin 0.0186 0.8949 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0114 0.5156 0.4924
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0045 0.1476 0.5
Plasmodium falciparum tubulin delta chain, putative 0.0045 0.1476 0.1649
Leishmania major alpha tubulin 0.0186 0.8949 1
Leishmania major alpha tubulin 0.0186 0.8949 1
Trypanosoma cruzi tubulin delta chain 0.0045 0.1476 0.1649
Echinococcus multilocularis tubulin alpha 1C chain 0.0186 0.8949 0.8949
Trypanosoma brucei epsilon tubulin 0.0103 0.4572 0.5109
Plasmodium falciparum alpha tubulin 1 0.0186 0.8949 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0114 0.5156 0.5156
Trichomonas vaginalis tubulin alpha chain, putative 0.0058 0.2196 0.0964
Loa Loa (eye worm) tubulin gamma chain 0.0103 0.4572 0.5109
Trypanosoma brucei beta tubulin 0.0114 0.5156 0.5761
Leishmania major alpha tubulin 0.0186 0.8949 1
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Echinococcus multilocularis beta tubulin 0.0114 0.5156 0.5156
Schistosoma mansoni tubulin subunit alpha 0.0186 0.8949 0.8949
Giardia lamblia Beta tubulin 0.0114 0.5156 0.4924
Echinococcus granulosus tubulin epsilon chain 0.0103 0.4572 0.4572
Echinococcus granulosus Tubulin beta 2C chain 0.0114 0.5156 0.5156
Echinococcus multilocularis tubulin alpha 3 chain 0.0186 0.8949 0.8949
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.1706 0.1706
Trichomonas vaginalis tubulin, putative 0.0058 0.2196 0.0964
Trypanosoma brucei tubulin delta chain 0.0045 0.1476 0.1649
Leishmania major gamma-tubulin 0.0103 0.4572 0.5109
Schistosoma mansoni hypothetical protein 0.0206 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0186 0.8949 0.8949
Brugia malayi Tubulin alpha chain 0.0045 0.1476 0.1649
Echinococcus multilocularis Tubulin beta 2C chain 0.0114 0.5156 0.5156
Echinococcus granulosus tubulin alpha 3 chain 0.0186 0.8949 0.8949
Echinococcus multilocularis tubulin alpha chain 0.0186 0.8949 0.8949
Brugia malayi Tubulin beta chain 0.0045 0.1476 0.1649
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Echinococcus granulosus Tubulin beta 2C chain 0.0114 0.5156 0.5156
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Entamoeba histolytica tubulin alpha-1 chain 0.0186 0.8949 1
Echinococcus granulosus tubulin alpha 3 chain 0.0186 0.8949 0.8949
Echinococcus multilocularis tubulin alpha 3 chain 0.0186 0.8949 0.8949
Giardia lamblia Gamma tubulin 0.0103 0.4572 0.4143
Toxoplasma gondii beta tubulin 0.0114 0.5156 0.5761
Plasmodium falciparum tubulin beta chain 0.0114 0.5156 0.5761
Schistosoma mansoni hypothetical protein 0.0206 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0186 0.8949 0.8949
Trypanosoma brucei beta tubulin 0.0103 0.4572 0.5109
Trypanosoma brucei zeta tubulin 0.0045 0.1476 0.1649
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Trichomonas vaginalis tubulin gamma chain, putative 0.0103 0.4572 0.4143
Echinococcus granulosus Tubulin beta 2C chain 0.0114 0.5156 0.5156
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Brugia malayi Tubulin beta-1 chain 0.0114 0.5156 0.5761
Leishmania major beta tubulin 0.0114 0.5156 0.5761
Loa Loa (eye worm) tubulin alpha-3 chain 0.0128 0.5853 0.654
Echinococcus multilocularis peroxisome assembly protein 26 0.0186 0.8949 0.8949
Echinococcus granulosus tubulin alpha 1C chain 0.0186 0.8949 0.8949
Echinococcus granulosus tubulin alpha 0.0103 0.4572 0.4572
Echinococcus granulosus tubulin alpha chain 0.0186 0.8949 0.8949
Trypanosoma cruzi tubulin gamma chain 0.0103 0.4572 0.5109
Trichomonas vaginalis tubulin alpha chain, putative 0.0058 0.2196 0.0964
Loa Loa (eye worm) tubulin alpha 2 0.0141 0.6573 0.7345
Trypanosoma brucei alpha tubulin 0.0186 0.8949 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0128 0.5853 0.5857
Trichomonas vaginalis tubulin beta chain, putative 0.0114 0.5156 0.4924
Leishmania major alpha tubulin 0.0186 0.8949 1
Giardia lamblia Alpha-tubulin 0.0186 0.8949 1
Leishmania major alpha tubulin 0.0186 0.8949 1
Brugia malayi Cell division protein ftsZ 0.0045 0.1476 0.1649
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0058 0.2196 0.0964
Schistosoma mansoni tubulin subunit delta 0.0045 0.1476 0.1476
Toxoplasma gondii alpha tubulin TUBA1 0.0186 0.8949 1
Plasmodium vivax tubulin gamma chain, putative 0.0103 0.4572 0.5109
Trypanosoma brucei beta tubulin 0.0114 0.5156 0.5761
Echinococcus multilocularis Tubulin beta 2C chain 0.0114 0.5156 0.5156
Brugia malayi Tubulin beta chain 0.0058 0.2196 0.2454
Plasmodium falciparum alpha tubulin 2 0.0186 0.8949 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.6573 0.7345
Echinococcus granulosus alpha tubulin 0.0186 0.8949 0.8949
Loa Loa (eye worm) alpha-tubulin 0.0186 0.8949 1
Brugia malayi beta-tubulin, identical 0.0114 0.5156 0.5761
Schistosoma mansoni alpha tubulin 0.0186 0.8949 0.8949
Echinococcus granulosus tubulin subunit TubB 0.0186 0.8949 0.8949
Echinococcus multilocularis tubulin alpha chain 0.0186 0.8949 0.8949
Leishmania major alpha tubulin 0.0186 0.8949 1
Brugia malayi Tubulin alpha-2 chain 0.0186 0.8949 1
Echinococcus granulosus tubulin alpha chain 0.0186 0.8949 0.8949
Brugia malayi Tubulin gamma chain 0.0103 0.4572 0.5109
Mycobacterium ulcerans cell division protein FtsZ 0.0045 0.1476 0.5
Entamoeba histolytica tubulin alpha chain, putative 0.0186 0.8949 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.1706 0.1706
Loa Loa (eye worm) tubulin alpha 2 0.0083 0.3477 0.3885
Trichomonas vaginalis tubulin alpha chain, putative 0.0103 0.4572 0.4143
Trichomonas vaginalis tubulin beta chain, putative 0.0186 0.8949 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) 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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