Detailed information for compound 1425368

Basic information

Technical information
  • TDR Targets ID: 1425368
  • Name: N-(1-adamantyl)-4-(5-methylbenzotriazol-1-yl) piperidine-1-carboxamide
  • MW: 393.525 | Formula: C23H31N5O
  • H donors: 1 H acceptors: 3 LogP: 3.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc2c(c1)nnn2C1CCN(CC1)C(=O)NC12CC3CC(C2)CC(C1)C3
  • InChi: 1S/C23H31N5O/c1-15-2-3-21-20(8-15)25-26-28(21)19-4-6-27(7-5-19)22(29)24-23-12-16-9-17(13-23)11-18(10-16)14-23/h2-3,8,16-19H,4-7,9-14H2,1H3,(H,24,29)
  • InChiKey: FEBFXNYYLZNGLQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1-adamantyl)-4-(5-methyl-1-benzotriazolyl)-1-piperidinecarboxamide
  • ASN 06365643
  • ZINC04400360
  • MLS000033633
  • SMR000006490
  • 4-(5-Methyl-benzotriazol-1-yl)-piperidine-1-carboxylic acid adamantan-1-ylamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni smad1 5 8 and 0.0017 0.0155 0.0231
Loa Loa (eye worm) hypothetical protein 0.0313 1 1
Brugia malayi RNA recognition motif domain containing protein 0.013 0.3905 0.3905
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0099 0.2886 0.559
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0167 0.5163 0.5
Schistosoma mansoni hypothetical protein 0.0099 0.2886 0.4303
Schistosoma mansoni smad1 5 8 and 0.0017 0.0155 0.0231
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0099 0.2886 0.559
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.011 0.3244 0.4744
Schistosoma mansoni tar DNA-binding protein 0.013 0.3905 0.5822
Brugia malayi MH2 domain containing protein 0.0017 0.0155 0.0155
Schistosoma mansoni transcription factor LCR-F1 0.004 0.092 0.1372
Loa Loa (eye worm) TAR-binding protein 0.013 0.3905 0.3905
Echinococcus granulosus peptidase Clp S14 family 0.011 0.3244 0.6284
Echinococcus granulosus Smad4 0.0017 0.0155 0.03
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0167 0.5163 0.5
Schistosoma mansoni hypothetical protein 0.004 0.092 0.1372
Brugia malayi MH1 domain containing protein 0.0017 0.0155 0.0155
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.092 0.1782
Schistosoma mansoni tar DNA-binding protein 0.013 0.3905 0.5822
Brugia malayi latrophilin 2 splice variant baaae 0.0214 0.6707 0.6707
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0099 0.2886 0.2886
Brugia malayi RNA binding protein 0.013 0.3905 0.3905
Onchocerca volvulus 0.0012 0 0.5
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0167 0.5163 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0247 0.7827 0.7827
Schistosoma mansoni hypothetical protein 0.0099 0.2886 0.4303
Echinococcus multilocularis GPCR, family 2 0.0099 0.2886 0.559
Echinococcus multilocularis smad 0.0017 0.0155 0.03
Echinococcus multilocularis Smad4 0.0017 0.0155 0.03
Brugia malayi MH2 domain containing protein 0.0017 0.0155 0.0155
Loa Loa (eye worm) Smad1 0.0017 0.0155 0.0155
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.0155 0.03
Echinococcus multilocularis peptidase Clp (S14 family) 0.011 0.3244 0.6284
Entamoeba histolytica hypothetical protein 0.004 0.092 0.5
Echinococcus multilocularis tar DNA binding protein 0.013 0.3905 0.7563
Brugia malayi Smad1 0.0017 0.0155 0.0155
Echinococcus granulosus GPCR family 2 0.0099 0.2886 0.559
Brugia malayi TAR-binding protein 0.013 0.3905 0.3905
Entamoeba histolytica hypothetical protein 0.004 0.092 0.5
Schistosoma mansoni smad 0.0017 0.0155 0.0231
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.0155 0.03
Schistosoma mansoni hypothetical protein 0.0214 0.6707 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0313 1 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.0155 0.03
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.011 0.3244 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0167 0.5163 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.0155 0.0155
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0167 0.5163 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0167 0.5163 1
Entamoeba histolytica hypothetical protein 0.004 0.092 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.0155 0.03
Brugia malayi MH1 domain containing protein 0.0017 0.0155 0.0155
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.092 0.1782
Schistosoma mansoni hypothetical protein 0.0099 0.2886 0.4303
Loa Loa (eye worm) hypothetical protein 0.0099 0.2886 0.2886
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.013 0.3905 0.3905
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0167 0.5163 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.3905 0.5822
Loa Loa (eye worm) transcription factor SMAD2 0.0247 0.7827 0.7827
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0167 0.5163 1
Schistosoma mansoni tar DNA-binding protein 0.013 0.3905 0.5822
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.011 0.3244 0.5
Loa Loa (eye worm) hypothetical protein 0.0167 0.5163 0.5163
Loa Loa (eye worm) RNA binding protein 0.013 0.3905 0.3905
Schistosoma mansoni Smad4 0.0017 0.0155 0.0231
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0167 0.5163 1
Echinococcus granulosus smad 0.0017 0.0155 0.03
Schistosoma mansoni tar DNA-binding protein 0.013 0.3905 0.5822
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0099 0.2886 0.559
Entamoeba histolytica hypothetical protein 0.004 0.092 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0012 0 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0167 0.5163 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0167 0.5163 0.7698
Brugia malayi hypothetical protein 0.004 0.092 0.092
Brugia malayi Calcitonin receptor-like protein seb-1 0.0313 1 1
Brugia malayi Latrophilin receptor protein 2 0.0099 0.2886 0.2886
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0099 0.2886 0.559
Schistosoma mansoni smad1 5 8 and 0.0017 0.0155 0.0231
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0099 0.2886 0.2886
Brugia malayi MH2 domain containing protein 0.0247 0.7827 0.7827
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.0155 0.0155
Schistosoma mansoni hypothetical protein 0.0099 0.2886 0.4303
Brugia malayi Probable ClpP-like protease 0.0167 0.5163 0.5163
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0167 0.5163 0.5
Echinococcus granulosus tar DNA binding protein 0.013 0.3905 0.7563
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0167 0.5163 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0167 0.5163 1
Loa Loa (eye worm) hypothetical protein 0.0214 0.6707 0.6707
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.0155 0.0231

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 13.1154 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 32.6427 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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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