Detailed information for compound 500965

Basic information

Technical information
  • TDR Targets ID: 500965
  • Name: (5-methoxy-1H-indol-2-yl)-[4-[2-(2-methylprop yl)benzimidazol-1-yl]piperidin-1-yl]methanone
  • MW: 430.542 | Formula: C26H30N4O2
  • H donors: 1 H acceptors: 2 LogP: 5.11 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)cc([nH]2)C(=O)N1CCC(CC1)n1c(CC(C)C)nc2c1cccc2
  • InChi: 1S/C26H30N4O2/c1-17(2)14-25-28-22-6-4-5-7-24(22)30(25)19-10-12-29(13-11-19)26(31)23-16-18-15-20(32-3)8-9-21(18)27-23/h4-9,15-17,19,27H,10-14H2,1-3H3
  • InChiKey: YOKYFNIZXANDKH-UHFFFAOYSA-N  

Network

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Synonyms

  • [4-(2-isobutylbenzimidazol-1-yl)-1-piperidyl]-(5-methoxy-1H-indol-2-yl)methanone
  • [4-(2-isobutyl-1-benzimidazolyl)-1-piperidinyl]-(5-methoxy-1H-indol-2-yl)methanone
  • [4-(2-isobutylbenzimidazol-1-yl)piperidino]-(5-methoxy-1H-indol-2-yl)methanone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens formyl peptide receptor 1 Starlite/ChEMBL References
Homo sapiens formyl peptide receptor 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis G-protein coupled receptor, putative formyl peptide receptor 2 351 aa 303 aa 21.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.3151 0.1904
Echinococcus granulosus dna polymerase eta 0.0048 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.3151 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.3151 0.3151
Trypanosoma brucei DNA polymerase eta, putative 0.0048 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.6422 0.4775
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.3151 0.1904
Trypanosoma brucei unspecified product 0.0021 0.3151 0.1904
Onchocerca volvulus 0.0008 0 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.3151 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.3151 0.3151
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.3151 0.1904
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.3151 0.1904
Echinococcus multilocularis dna polymerase eta 0.0048 1 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.3151 0.3151
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.3151 0.3151
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0008 0 0.5
Giardia lamblia DINP protein human, muc B family 0.0021 0.3151 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.3151 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.3151 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.3151 0.1904
Echinococcus granulosus dna polymerase kappa 0.0021 0.3151 0.3151
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.3151 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.3151 0.5
Echinococcus multilocularis dna polymerase kappa 0.0021 0.3151 0.3151
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.3151 0.1904
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.6422 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.3151 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.3151 0.1904
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.3151 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0048 1 1
Leishmania major DNA polymerase eta, putative 0.0034 0.6422 0.4775
Schistosoma mansoni DNA polymerase eta 0.0048 1 1
Loa Loa (eye worm) hypothetical protein 0.0048 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.3151 0.1904
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.3151 0.1904
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.3151 0.3151
Onchocerca volvulus Bile acid receptor homolog 0.0008 0 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.3151 0.3151
Leishmania major DNA polymerase eta, putative 0.0048 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.3151 0.1904
Onchocerca volvulus Protein ultraspiracle homolog 0.0008 0 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.3151 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.3151 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Agonist activity at human FPR2 expressed in RBL-2H3 cells assessed as induction of calcium mobilization ChEMBL. 20870313
EC50 (functional) = 0.83 uM Agonist activity at human recombinant FPRL1 expressed in CHO cells assessed as calcium flux by aequorin based bioluminescence assay ChEMBL. 17920884
EC50 (functional) = 0.83 uM Agonist activity at human recombinant FPRL1 expressed in CHO cells assessed as calcium flux by aequorin based bioluminescence assay ChEMBL. 17920884
EC50 (functional) > 10 uM Agonist activity at human recombinant FPR expressed in CHO cells assessed as calcium flux by aequorin based bioluminescence assay ChEMBL. 17920884
EC50 (functional) > 10 uM Agonist activity at human recombinant FPR expressed in CHO cells assessed as calcium flux by aequorin based bioluminescence assay ChEMBL. 17920884

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

2 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.