Detailed information for compound 1444286

Basic information

Technical information
  • TDR Targets ID: 1444286
  • Name: 1-(3,4-dimethoxyphenyl)-2-(pyridin-4-ylmethyl )-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • MW: 428.437 | Formula: C25H20N2O5
  • H donors: 0 H acceptors: 3 LogP: 2.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)C1N(Cc2ccncc2)C(=O)c2c1c(=O)c1c(o2)cccc1
  • InChi: 1S/C25H20N2O5/c1-30-19-8-7-16(13-20(19)31-2)22-21-23(28)17-5-3-4-6-18(17)32-24(21)25(29)27(22)14-15-9-11-26-12-10-15/h3-13,22H,14H2,1-2H3
  • InChiKey: SHTCLFDWYWFLCD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3,4-dimethoxyphenyl)-2-(4-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
  • 1-(3,4-dimethoxyphenyl)-2-(4-pyridylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-quinone
  • MLS000889800
  • MLS000084128
  • SMR000047281

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major beta tubulin 0.0068 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0068 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.7573 0.7573
Mycobacterium tuberculosis Cell division protein FtsZ 0.0017 0 0.5
Echinococcus multilocularis tubulin epsilon chain 0.0022 0.1098 0.1098
Leishmania major beta tubulin 0.0068 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0031 0.2764 0.2764
Echinococcus multilocularis tubulin alpha chain 0.0031 0.2764 0.2764
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.7573 0.7573
Loa Loa (eye worm) tubulin beta chain 0.0068 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0031 0.2764 0.2764
Echinococcus multilocularis tubulin alpha chain 0.0031 0.2764 0.2764
Loa Loa (eye worm) BEN-1 protein 0.0068 1 1
Giardia lamblia Alpha-tubulin 0.0031 0.2764 0.2764
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.7573 0.7573
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0031 0.2764 0.2764
Echinococcus granulosus tubulin subunit TubB 0.0031 0.2764 0.2764
Echinococcus multilocularis tubulin alpha 3 chain 0.0031 0.2764 0.2764
Echinococcus granulosus Tubulin beta 2C chain 0.0068 1 1
Echinococcus multilocularis tubulin alpha chain 0.0031 0.2764 0.2764
Trichomonas vaginalis tubulin gamma chain, putative 0.0022 0.1098 0.1098
Toxoplasma gondii beta tubulin 0.0068 1 1
Plasmodium falciparum tubulin epsilon chain, putative 0.0022 0.1098 0.1098
Echinococcus granulosus tubulin alpha chain 0.0031 0.2764 0.2764
Schistosoma mansoni tubulin subunit alpha 0.0031 0.2764 0.2764
Echinococcus multilocularis tubulin subunit beta 0.0068 1 1
Loa Loa (eye worm) beta-tubulin 0.0068 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0031 0.2764 0.2764
Trichomonas vaginalis tubulin gamma chain, putative 0.0068 1 1
Schistosoma mansoni alpha tubulin 0.0031 0.2764 0.2764
Trypanosoma cruzi tubulin gamma chain 0.0022 0.1098 0.1098
Trypanosoma brucei alpha tubulin 0.0031 0.2764 0.2764
Toxoplasma gondii alpha tubulin TUBA1 0.0031 0.2764 0.2764
Loa Loa (eye worm) tubulin beta-2A chain 0.0068 1 1
Trypanosoma brucei beta tubulin 0.0068 1 1
Toxoplasma gondii tubulin/FtsZ family, GTPase domain-containing protein 0.0022 0.1098 0.1098
Leishmania major alpha tubulin 0.0031 0.2764 0.2764
Leishmania major beta tubulin 0.0068 1 1
Leishmania major alpha tubulin 0.0031 0.2764 0.2764
Loa Loa (eye worm) tubulin beta-4 chain 0.0068 1 1
Leishmania major alpha tubulin 0.0031 0.2764 0.2764
Echinococcus multilocularis tubulin alpha 0.0022 0.1098 0.1098
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0017 0 0.5
Brugia malayi tubulin alpha chain - mouse 0.0031 0.2764 0.2764
Leishmania major beta tubulin 0.0068 1 1
Echinococcus granulosus alpha tubulin 0.0031 0.2764 0.2764
Echinococcus granulosus Tubulin beta 2C chain 0.0068 1 1
Leishmania major alpha tubulin 0.0031 0.2764 0.2764
Echinococcus granulosus tubulin alpha 3 chain 0.0031 0.2764 0.2764
Leishmania major alpha tubulin 0.0031 0.2764 0.2764
Schistosoma mansoni tubulin subunit beta 0.0068 1 1
Echinococcus granulosus tubulin alpha 1C chain 0.0031 0.2764 0.2764
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.7573 0.7573
Toxoplasma gondii alpha-tubulin I, putative 0.0031 0.2764 0.2764
Trypanosoma brucei alpha tubulin 0.0031 0.2764 0.2764
Loa Loa (eye worm) alpha-tubulin 0.0031 0.2764 0.2764
Toxoplasma gondii beta-1 tubulin, putative 0.0068 1 1
Plasmodium vivax tubulin epsilon chain, putative 0.0022 0.1098 0.1098
Echinococcus granulosus tubulin epsilon chain 0.0022 0.1098 0.1098
Trypanosoma brucei epsilon tubulin 0.0022 0.1098 0.1098
Schistosoma mansoni alpha tubulin 0.0031 0.2764 0.2764
Schistosoma mansoni tubulin subunit epsilon 0.0022 0.1098 0.1098
Trypanosoma cruzi epsilon tubulin, putative 0.0022 0.1098 0.1098
Trichomonas vaginalis tubulin alpha chain, putative 0.0022 0.1098 0.1098
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7573 0.7573
Toxoplasma gondii beta-tubulin, putative 0.0068 1 1
Giardia lamblia Beta tubulin 0.0068 1 1
Loa Loa (eye worm) alpha-tubulin 0.0031 0.2764 0.2764
Leishmania major alpha tubulin 0.0031 0.2764 0.2764
Brugia malayi Tubulin alpha-2 chain 0.0031 0.2764 0.2764
Schistosoma mansoni tubulin subunit beta 0.0068 1 1
Echinococcus multilocularis tubulin alpha chain 0.0031 0.2764 0.2764
Trichomonas vaginalis tubulin epsilon chain, putative 0.0031 0.2764 0.2764
Echinococcus multilocularis Tubulin alpha 1 chain 0.0031 0.2764 0.2764
Echinococcus multilocularis tubulin alpha 3 chain 0.0031 0.2764 0.2764
Echinococcus granulosus tubulin alpha chain 0.0031 0.2764 0.2764
Loa Loa (eye worm) tubulin alpha-2 chain 0.0031 0.2764 0.2764
Trichomonas vaginalis tubulin epsilon chain, putative 0.0068 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0068 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7573 0.7573
Echinococcus granulosus beta tubulin 0.0068 1 1
Trypanosoma cruzi beta tubulin, putative 0.0068 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0031 0.2764 0.2764
Plasmodium falciparum tubulin gamma chain 0.0022 0.1098 0.1098
Loa Loa (eye worm) tubulin alpha chain 0.0031 0.2764 0.2764
Echinococcus multilocularis Tubulin alpha 1 chain 0.0031 0.2764 0.2764
Echinococcus multilocularis Tubulin alpha 1 chain 0.0031 0.2764 0.2764
Leishmania major epsilon tubulin, putative 0.0022 0.1098 0.1098
Echinococcus multilocularis Tubulin beta 2C chain 0.0068 1 1
Plasmodium vivax tubulin alpha chain, putative 0.0031 0.2764 0.2764
Echinococcus multilocularis Tubulin beta 2C chain 0.0068 1 1
Brugia malayi Tubulin alpha chain 0.0031 0.2764 0.2764
Giardia lamblia Gamma tubulin 0.0022 0.1098 0.1098
Schistosoma mansoni tubulin subunit alpha 0.0031 0.2764 0.2764
Leishmania major beta tubulin 0.0068 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.7573 0.7573
Giardia lamblia Beta tubulin 0.0068 1 1
Trichomonas vaginalis tubulin epsilon chain, putative 0.0031 0.2764 0.2764
Plasmodium falciparum tubulin beta chain 0.0068 1 1
Echinococcus multilocularis hypothetical protein 0.0031 0.2764 0.2764
Loa Loa (eye worm) tubulin gamma chain 0.0022 0.1098 0.1098
Schistosoma mansoni alpha tubulin 0.0031 0.2764 0.2764
Schistosoma mansoni tubulin subunit beta 0.0068 1 1
Plasmodium vivax tubulin gamma chain, putative 0.0022 0.1098 0.1098
Entamoeba histolytica tubulin family protein 0.0068 1 1
Brugia malayi alpha-tubulin 0.0031 0.2764 0.2764
Giardia lamblia Alpha-tubulin 0.0031 0.2764 0.2764
Leishmania major beta tubulin 0.0068 1 1
Echinococcus multilocularis Tubulin beta 2C chain 0.0068 1 1
Echinococcus granulosus tubulin alpha 3 chain 0.0031 0.2764 0.2764
Leishmania major beta tubulin 0.0068 1 1
Leishmania major alpha tubulin 0.0031 0.2764 0.2764
Echinococcus granulosus Tubulin beta 2C chain 0.0068 1 1
Trichomonas vaginalis tubulin alpha-1 chain, putative 0.0025 0.1665 0.1665
Trypanosoma brucei alpha tubulin 0.0031 0.2764 0.2764
Echinococcus granulosus tubulin gamma 1 chain 0.0022 0.1098 0.1098
Trypanosoma brucei epsilon tubulin 0.0022 0.1098 0.1098
Leishmania major beta tubulin 0.0068 1 1
Trypanosoma brucei tubulin gamma chain 0.0022 0.1098 0.1098
Echinococcus multilocularis beta tubulin 0.0068 1 1
Leishmania major beta tubulin 0.0068 1 1
Leishmania major alpha tubulin 0.0031 0.2764 0.2764
Echinococcus multilocularis Tubulin beta 2C chain 0.0068 1 1
Echinococcus multilocularis tubulin beta 1 chain 0.0068 1 1
Plasmodium falciparum alpha tubulin 2 0.0031 0.2764 0.2764
Echinococcus multilocularis tubulin alpha chain 0.0031 0.2764 0.2764
Loa Loa (eye worm) hypothetical protein 0.0025 0.1665 0.1665
Trichomonas vaginalis tubulin beta chain, putative 0.0031 0.2764 0.2764
Leishmania major beta tubulin 0.0068 1 1
Echinococcus granulosus beta tubulin 0.0068 1 1
Leishmania major alpha tubulin 0.0031 0.2764 0.2764
Plasmodium vivax tubulin beta chain, putative 0.0068 1 1
Echinococcus granulosus Tubulin beta 2C chain 0.0068 1 1
Brugia malayi Tubulin gamma chain 0.0022 0.1098 0.1098
Echinococcus granulosus tubulin alpha chain 0.0031 0.2764 0.2764
Schistosoma mansoni tubulin subunit beta 0.0068 1 1
Echinococcus multilocularis tubulin alpha 1C chain 0.0031 0.2764 0.2764
Echinococcus multilocularis Tubulin beta 2C chain 0.0068 1 1
Echinococcus multilocularis tubulin subunit TubB 0.0031 0.2764 0.2764
Leishmania major beta tubulin 0.0068 1 1
Leishmania major beta tubulin 0.0068 1 1
Echinococcus granulosus Tubulin alpha 1 chain 0.0031 0.2764 0.2764
Trichomonas vaginalis tubulin alpha chain, putative 0.0068 1 1
Leishmania major beta tubulin 0.0068 1 1
Echinococcus granulosus tubulin alpha chain 0.0031 0.2764 0.2764
Mycobacterium ulcerans cell division protein FtsZ 0.0017 0 0.5
Trichomonas vaginalis tubulin epsilon chain, putative 0.0068 1 1
Entamoeba histolytica tubulin alpha chain, putative 0.0031 0.2764 0.1871
Echinococcus granulosus Tubulin alpha 1 chain 0.0031 0.2764 0.2764
Loa Loa (eye worm) tubulin alpha chain 0.0031 0.2764 0.2764
Brugia malayi beta-tubulin, identical 0.0068 1 1
Schistosoma mansoni tubulin subunit beta 0.0068 1 1
Brugia malayi Tubulin alpha-2 chain 0.0031 0.2764 0.2764
Trichomonas vaginalis tubulin beta chain, putative 0.0031 0.2764 0.2764
Trichomonas vaginalis tubulin beta chain, putative 0.0031 0.2764 0.2764
Leishmania major gamma-tubulin 0.0022 0.1098 0.1098
Leishmania major alpha tubulin 0.0031 0.2764 0.2764
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.7573 0.7573
Trypanosoma brucei beta tubulin 0.0022 0.1098 0.1098
Schistosoma mansoni tubulin subunit gamma 0.0022 0.1098 0.1098
Leishmania major beta tubulin 0.0068 1 1
Trypanosoma brucei epsilon tubulin 0.0022 0.1098 0.1098
Trypanosoma cruzi alpha tubulin, putative 0.0031 0.2764 0.2764
Trichomonas vaginalis tubulin, putative 0.0068 1 1
Trypanosoma brucei beta tubulin 0.0068 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.2764 0.2764
Trichomonas vaginalis tubulin beta chain, putative 0.0031 0.2764 0.2764
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.7573 0.7573
Echinococcus multilocularis peroxisome assembly protein 26 0.0031 0.2764 0.2764
Trypanosoma cruzi epsilon tubulin, putative 0.0022 0.1098 0.1098
Echinococcus granulosus tubulin beta 4A class IVa 0.0068 1 1
Echinococcus granulosus peroxisome assembly protein 26 0.0031 0.2764 0.2764
Brugia malayi tubulin alpha-2 chain 0.0031 0.2764 0.2764
Echinococcus granulosus tubulin alpha chain 0.0031 0.2764 0.2764
Treponema pallidum cell division protein FtsZ 0.0017 0 0.5
Leishmania major beta tubulin 0.0068 1 1
Leishmania major beta tubulin 0.0068 1 1
Trichomonas vaginalis tubulin beta chain, putative 0.0031 0.2764 0.2764
Trypanosoma brucei beta tubulin 0.0068 1 1
Loa Loa (eye worm) BEN-1 protein 0.0068 1 1
Echinococcus granulosus tubulin alpha 0.0022 0.1098 0.1098
Plasmodium falciparum alpha tubulin 1 0.0031 0.2764 0.2764
Mycobacterium leprae cell division protein FtsZ 0.0017 0 0.5
Leishmania major alpha tubulin 0.0031 0.2764 0.2764
Echinococcus multilocularis beta tubulin 0.0068 1 1
Trypanosoma brucei alpha tubulin 0.0031 0.2764 0.2764
Entamoeba histolytica tubulin alpha-1 chain 0.0031 0.2764 0.1871
Schistosoma mansoni tubulin subunit alpha 0.0031 0.2764 0.2764
Plasmodium vivax tubulin alpha chain, putative 0.0031 0.2764 0.2764
Echinococcus granulosus tubulin subunit beta 0.0068 1 1
Giardia lamblia Beta tubulin 0.0068 1 1
Loa Loa (eye worm) tubulin beta-1 chain 0.0068 1 1
Trichomonas vaginalis tubulin gamma chain, putative 0.0022 0.1098 0.1098
Leishmania major beta tubulin 0.0068 1 1
Schistosoma mansoni tubulin subunit beta 0.0068 1 1
Echinococcus granulosus tubulin beta 1 chain 0.0068 1 1
Entamoeba histolytica tubulin family protein 0.0068 1 1
Leishmania major beta tubulin 0.0068 1 1
Trypanosoma brucei beta tubulin 0.0068 1 1
Echinococcus multilocularis tubulin gamma 1 chain 0.0022 0.1098 0.1098
Leishmania major alpha tubulin 0.0031 0.2764 0.2764
Loa Loa (eye worm) tubulin alpha-3 chain 0.0025 0.1665 0.1665
Echinococcus multilocularis tubulin, beta 4A class IVa 0.0068 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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