Detailed information for compound 1305223

Basic information

Technical information
  • TDR Targets ID: 1305223
  • Name: (3-methyl-2-propylimidazol-4-yl)-diphenylmeth anol hydrochloride
  • MW: 342.862 | Formula: C20H23ClN2O
  • H donors: 1 H acceptors: 2 LogP: 4.33 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1ncc(n1C)C(c1ccccc1)(c1ccccc1)O.Cl
  • InChi: 1S/C20H22N2O.ClH/c1-3-10-19-21-15-18(22(19)2)20(23,16-11-6-4-7-12-16)17-13-8-5-9-14-17;/h4-9,11-15,23H,3,10H2,1-2H3;1H
  • InChiKey: WOUWGIVAUXGZTE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3-methyl-2-propyl-imidazol-4-yl)-diphenyl-methanol hydrochloride
  • (3-methyl-2-propyl-4-imidazolyl)-diphenylmethanol hydrochloride
  • MLS000710539
  • SMR000280306

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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
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 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
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
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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.8673 0.8673
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.3139 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Schistosoma mansoni hypothetical protein 0.004 0.6195 0.6195
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.6195 0.6195
Leishmania major hypothetical protein, conserved 0.0028 0.3139 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.8673 0.8673
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.3139 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.4658 0.4658
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.3139 0.5
Brugia malayi hypothetical protein 0.0028 0.3139 0.3139
Entamoeba histolytica hypothetical protein 0.004 0.6195 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.6195 0.6195
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.3139 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.3139 0.3139
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.3139 0.5
Brugia malayi hypothetical protein 0.004 0.6195 0.6195
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.4658 0.4658
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.8673 0.8673
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.3139 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Entamoeba histolytica hypothetical protein 0.004 0.6195 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.3139 0.5
Entamoeba histolytica hypothetical protein 0.004 0.6195 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 1 1
Loa Loa (eye worm) hypothetical protein 0.005 0.8673 0.8673
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 1 1
Entamoeba histolytica hypothetical protein 0.004 0.6195 0.5
Brugia malayi hypothetical protein 0.0018 0.0604 0.0604
Schistosoma mansoni transcription factor LCR-F1 0.004 0.6195 0.6195
Loa Loa (eye worm) hypothetical protein 0.0034 0.4658 0.4658

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 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) 5.8584 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
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] 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.

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