Detailed information for compound 24965

Basic information

Technical information
  • TDR Targets ID: 24965
  • Name: 1-[phenyl-(4-pyrrol-1-ylphenyl)methyl]imidazo le
  • MW: 299.369 | Formula: C20H17N3
  • H donors: 0 H acceptors: 1 LogP: 3.7 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)C(n1cncc1)c1ccc(cc1)n1cccc1
  • InChi: 1S/C20H17N3/c1-2-6-17(7-3-1)20(23-15-12-21-16-23)18-8-10-19(11-9-18)22-13-4-5-14-22/h1-16,20H
  • InChiKey: HBPCHPGVRZSBLY-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[phenyl-[4-(1-pyrrolyl)phenyl]methyl]imidazole
  • 1H-Imidazole, 1-[phenyl[4-(1H-pyrrol-1-yl)phenyl]methyl]-
  • AIDS-336190
  • AIDS336190

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
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0029 0 0.5
Trypanosoma cruzi serine peptidase, Clan SC, Family S10, putative 0.0029 0 0.5
Onchocerca volvulus 0.0598 1 1
Echinococcus granulosus glycoprotein Antigen 5 0.0414 0.6761 1
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0029 0 0.5
Leishmania major serine carboxypeptidase (CBP1), putative,serine peptidase, Clan SC, Family S10 0.0029 0 0.5
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0257 0.4017 0.4017
Schistosoma mansoni cercarial elastase (S01 family) 0.0414 0.6761 0.6761
Onchocerca volvulus 0.0184 0.2735 0.2735
Schistosoma mansoni hypothetical protein 0.0414 0.6761 0.6761
Echinococcus granulosus transmembrane protease serine 3 0.0414 0.6761 1
Brugia malayi Trypsin-like protease protein 5 0.0414 0.6761 0.6761
Onchocerca volvulus 0.0414 0.6761 0.6761
Echinococcus multilocularis transmembrane protease serine 3 0.0414 0.6761 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0414 0.6761 0.6761
Schistosoma mansoni thyroid hormone receptor 0.0151 0.2148 0.2148
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0414 0.6761 0.6761
Loa Loa (eye worm) hypothetical protein 0.0256 0.3996 0.3996
Echinococcus multilocularis glycoprotein Antigen 5 0.0414 0.6761 1
Echinococcus multilocularis enteropeptidase 0.0414 0.6761 1
Loa Loa (eye worm) hypothetical protein 0.0598 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0414 0.6761 0.6761
Onchocerca volvulus 0.0414 0.6761 0.6761
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0414 0.6761 1
Loa Loa (eye worm) hypothetical protein 0.0414 0.6761 0.6761
Brugia malayi Trypsin family protein 0.0414 0.6761 0.6761
Loa Loa (eye worm) trypsin family protein 0.0414 0.6761 0.6761
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0414 0.6761 0.6761
Schistosoma mansoni cercarial elastase (S01 family) 0.0414 0.6761 0.6761
Schistosoma mansoni cercarial elastase (S01 family) 0.0414 0.6761 0.6761
Schistosoma mansoni hypothetical protein 0.013 0.1781 0.1781
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0414 0.6761 0.6761
Schistosoma mansoni cercarial elastase (S01 family) 0.0414 0.6761 0.6761
Schistosoma mansoni cercarial elastase (S01 family) 0.0414 0.6761 0.6761
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0414 0.6761 0.6761
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0414 0.6761 0.6761
Brugia malayi Nuclear hormone receptor-like 1 0.0257 0.4017 0.4017
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0598 1 1
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0414 0.6761 1
Echinococcus granulosus Mastin 0.0414 0.6761 1
Onchocerca volvulus 0.0414 0.6761 0.6761
Loa Loa (eye worm) hypothetical protein 0.0414 0.6761 0.6761
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0414 0.6761 1
Brugia malayi Nuclear hormone receptor-like 1 0.0267 0.419 0.419
Onchocerca volvulus 0.0414 0.6761 0.6761
Brugia malayi Nuclear hormone receptor-like 1 0.0257 0.4017 0.4017
Schistosoma mansoni cercarial elastase (S01 family) 0.0414 0.6761 0.6761
Schistosoma mansoni cercarial elastase (S01 family) 0.0414 0.6761 0.6761
Loa Loa (eye worm) hypothetical protein 0.0414 0.6761 0.6761
Loa Loa (eye worm) hypothetical protein 0.0598 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0414 0.6761 0.6761
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0414 0.6761 0.6761
Brugia malayi hypothetical protein 0.0414 0.6761 0.6761
Echinococcus multilocularis thyroid hormone receptor alpha 0.0151 0.2148 0.3176
Onchocerca volvulus 0.0414 0.6761 0.6761
Loa Loa (eye worm) hypothetical protein 0.0414 0.6761 0.6761
Schistosoma mansoni hypothetical protein 0.0414 0.6761 0.6761
Schistosoma mansoni thyroid hormone receptor 0.0151 0.2148 0.2148
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0029 0 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.013 0.1781 0.2634
Schistosoma mansoni cercarial elastase (S01 family) 0.0414 0.6761 0.6761
Mycobacterium ulcerans hypothetical protein 0.0414 0.6761 0.5
Echinococcus granulosus enteropeptidase 0.0414 0.6761 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0414 0.6761 0.6761
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0414 0.6761 1
Brugia malayi Trypsin family protein 0.0414 0.6761 0.6761
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0598 1 1
Brugia malayi Trypsin family protein 0.0414 0.6761 0.6761
Echinococcus multilocularis Mastin 0.0414 0.6761 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.013 0.1781 0.2634
Trypanosoma cruzi serine carboxypeptidase (CBP1), putative 0.0029 0 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S10 0.0029 0 0.5
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0414 0.6761 0.6761

Activities

Activity type Activity value Assay description Source Reference
Ratio (functional) = 0.6 In vitro antimycotic activity of compound against C. albicans was determined as -log MIC90 compound to that of -log MIC90 bifonazole ChEMBL. 8632429
Ratio (functional) = 6.8 Ratio of the in vitro minimal inhibitory to that of bifonazole against Candida albicans (MICcompd/MICbifonazole) ChEMBL. 16078834
Ratio (functional) = 0.25 Anticandida activity- (MIC90 compound) / (MIC90 bifonazole) ChEMBL. 12061875
Ratio (functional) = 0.6 In vitro antimycotic activity of compound against C. albicans was determined as -log MIC90 compound to that of -log MIC90 bifonazole ChEMBL. 8632429
Ratio (functional) = 6.8 Ratio of the in vitro minimal inhibitory to that of bifonazole against Candida albicans (MICcompd/MICbifonazole) ChEMBL. 16078834

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

3 literature references were collected for this gene.

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