Detailed information for compound 251657

Basic information

Technical information
  • TDR Targets ID: 251657
  • Name: [[2-(9-methylcarbazol-2-yl)-1-(2H-tetrazol-5- yl)ethyl]amino]methylphosphonic acid
  • MW: 386.345 | Formula: C17H19N6O3P
  • H donors: 4 H acceptors: 6 LogP: -1.65 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c2ccccc2c2c1cc(cc2)CC(c1nnn[nH]1)NCP(=O)(O)O
  • InChi: 1S/C17H19N6O3P/c1-23-15-5-3-2-4-12(15)13-7-6-11(9-16(13)23)8-14(17-19-21-22-20-17)18-10-27(24,25)26/h2-7,9,14,18H,8,10H2,1H3,(H2,24,25,26)(H,19,20,21,22)
  • InChiKey: CVLPLAHWGXBTKP-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • [[2-(9-methyl-2-carbazolyl)-1-(2H-tetrazol-5-yl)ethyl]amino]methylphosphonic acid
  • [[2-(9-methylcarbazol-2-yl)-1-(2H-1,2,3,4-tetrazol-5-yl)ethyl]amino]methylphosphonic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Neprilysin Starlite/ChEMBL References
Homo sapiens endothelin converting enzyme 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Brugia malayi Peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium leprae probable zinc metalloprotease Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma japonicum ko:K01415 endothelin-converting enzyme [EC3.4.24.71], putative Get druggable targets OG5_127344 All targets in OG5_127344
Neospora caninum hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Echinococcus granulosus endothelin converting enzyme 1 Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Onchocerca volvulus Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma japonicum IPR000718,Peptidase M13, neprilysin,domain-containing Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Mycobacterium ulcerans zinc metalloprotease Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) peptidase family M13 containing protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Schistosoma mansoni family M13 unassigned peptidase (M13 family) Get druggable targets OG5_127344 All targets in OG5_127344
Toxoplasma gondii peptidase family M13 protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Echinococcus multilocularis endothelin converting enzyme 1 Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 Get druggable targets OG5_127344 All targets in OG5_127344
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127344 All targets in OG5_127344

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) Neprilysin   750 aa 778 aa 20.2 %
Onchocerca volvulus Neprilysin   750 aa 713 aa 34.1 %
Onchocerca volvulus Neprilysin   750 aa 682 aa 31.1 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.006 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0169 0.655 0.655
Onchocerca volvulus 0.0113 0.3329 1
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0115 0.345 0.345
Mycobacterium leprae probable zinc metalloprotease 0.0228 1 0.5
Schistosoma mansoni hypothetical protein 0.006 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0169 0.655 0.655
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0115 0.345 0.345
Echinococcus multilocularis endothelin converting enzyme 1 0.0228 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0081 0.1458 0.1458
Loa Loa (eye worm) hypothetical protein 0.0173 0.678 0.678
Loa Loa (eye worm) hypothetical protein 0.0173 0.678 0.678
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0115 0.345 0.345
Loa Loa (eye worm) hypothetical protein 0.0173 0.678 0.678
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0081 0.1458 0.1458
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0081 0.1458 0.1458
Mycobacterium ulcerans zinc metalloprotease 0.0228 1 0.5
Echinococcus granulosus endothelin converting enzyme 1 0.0228 1 0.5
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0228 1 0.5
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0228 1 1
Loa Loa (eye worm) hypothetical protein 0.0173 0.678 0.678
Toxoplasma gondii peptidase family M13 protein 0.0228 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0173 0.678 0.678
Schistosoma mansoni neprilysin 0.006 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0113 0.3329 0.3329
Loa Loa (eye worm) hypothetical protein 0.0173 0.678 0.678
Loa Loa (eye worm) hypothetical protein 0.0228 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.1135 0.1135
Schistosoma mansoni hypothetical protein 0.006 0.023 0.023
Loa Loa (eye worm) peptidase family M13 containing protein 0.0169 0.655 0.655
Loa Loa (eye worm) hypothetical protein 0.0169 0.655 0.655
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0228 1 1
Loa Loa (eye worm) hypothetical protein 0.0081 0.1458 0.1458
Loa Loa (eye worm) hypothetical protein 0.0228 1 1
Schistosoma mansoni hypothetical protein 0.006 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0169 0.655 0.655
Loa Loa (eye worm) peptidase family M13 containing protein 0.0169 0.655 0.655
Schistosoma mansoni hypothetical protein 0.006 0.023 0.023
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0115 0.345 0.345
Schistosoma mansoni hypothetical protein 0.006 0.023 0.023
Loa Loa (eye worm) hypothetical protein 0.0228 1 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.006 0.023 0.023
Schistosoma mansoni neprilysin-2 (M13 family) 0.0115 0.345 0.345
Brugia malayi Cation transporter family protein 0.0081 0.1458 0.1458

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 140 nM In vitro inhibition of rat neutral endopeptidase ChEMBL. 10669576
IC50 (binding) = 140 nM In vitro inhibition of rat neutral endopeptidase ChEMBL. 10669576
IC50 (binding) > 4000 nM In Vitro inhibition of recombinant human endothelin converting enzyme-1 ChEMBL. 10669576
IC50 (binding) > 4000 nM In Vitro inhibition of recombinant human endothelin converting enzyme-1 ChEMBL. 10669576
Selectivity (binding) < 0.03 Selectivity ratio of IC50 NEP/IC50 ECE ChEMBL. 10669576

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

1 literature reference was collected for this gene.

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