Detailed information for compound 1520538

Basic information

Technical information
  • TDR Targets ID: 1520538
  • Name: 2,2,4-trimethyl-4-phenyl-3H-quinoline-1-carbo xamide
  • MW: 294.391 | Formula: C19H22N2O
  • H donors: 1 H acceptors: 1 LogP: 3.72 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)N1c2ccccc2C(CC1(C)C)(C)c1ccccc1
  • InChi: 1S/C19H22N2O/c1-18(2)13-19(3,14-9-5-4-6-10-14)15-11-7-8-12-16(15)21(18)17(20)22/h4-12H,13H2,1-3H3,(H2,20,22)
  • InChiKey: MHYFOIRDXPTDSD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS001185506
  • SMR000502123
  • CBMicro_035224
  • BIM-0035454.P001
  • Oprea1_236358
  • STK029641

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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
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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Echinococcus granulosus guanine nucleotide binding protein Gs 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 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.3214 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.3713 0.3713
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3214 0.3214
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1796 0.1796
Plasmodium falciparum cytochrome b 0.0123 1 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3214 0.3214
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.3214 0.3214
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3713 0.3713
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Leishmania major DNA polymerase eta, putative 0.0023 0 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei unspecified product 0.0023 0 0.5
Schistosoma mansoni cytochrome b 0.0123 1 1
Toxoplasma gondii cytochrome b 0.0123 1 0.5
Schistosoma mansoni cytochrome b 0.0123 1 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0 0.5
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0123 1 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3713 0.3713
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.3214 0.3214
Plasmodium vivax cytochrome b 0.0123 1 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.3214 0.3214
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus granulosus cytochrome B 0.0123 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.3214 0.3214
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.1796 0.1796
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3713 0.3713
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0 0.5
Toxoplasma gondii apocytochrome b, putative 0.0123 1 0.5
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.3214 1
Giardia lamblia DINP protein human, muc B family 0.0023 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.3214 0.3214
Loa Loa (eye worm) cytochrome b 0.0123 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0 0.5
Leishmania major DNA polymerase kappa, putative 0.0023 0 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1796 0.1796

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 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) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.