Detailed information for compound 1183536

Basic information

Technical information
  • TDR Targets ID: 1183536
  • Name: 3-chloro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl ]propanamide
  • MW: 281.698 | Formula: C11H12ClN5O2
  • H donors: 1 H acceptors: 4 LogP: 0.9 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCCC(=O)Nc1cc(OC)cc(c1)n1cnnn1
  • InChi: 1S/C11H12ClN5O2/c1-19-10-5-8(14-11(18)2-3-12)4-9(6-10)17-7-13-15-16-17/h4-7H,2-3H2,1H3,(H,14,18)
  • InChiKey: ZCNBEMPEAZZCTP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-chloro-N-[3-methoxy-5-(1-tetrazolyl)phenyl]propanamide
  • 3-chloro-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propionamide
  • 3-chloro-N-[3-methoxy-5-(1,2,3,4-tetrazol-1-yl)phenyl]propanamide
  • STK301501
  • 3-chloro-N-[3-methoxy-5-(1H-tetraazol-1-yl)phenyl]propanamide
  • ZINC02735742
  • MLS000698260
  • SMR000228081
  • AK-968/41922637

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs 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
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
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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
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
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
Loa Loa (eye worm) hypothetical protein 0.0083 0.4487 0.6739
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.4879 0.4876
Mycobacterium ulcerans Type I modular polyketide synthase 0.0049 0.2264 0.5834
Mycobacterium leprae Probable polyketide synthase Pks1 0.0052 0.2467 0.6337
Mycobacterium ulcerans fatty acid synthase Fas 0.0016 0.0022 0.0056
Loa Loa (eye worm) hypothetical protein 0.0028 0.0827 0.1233
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.4879 0.4876
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.6655 1
Toxoplasma gondii beta-ketoacyl synthase, N-terminal domain-containing protein 0.0032 0.1116 0.2574
Mycobacterium tuberculosis Probable polyketide synthase Pks9 0.0028 0.0853 0.2199
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.004 0.1625 0.4188
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD 0.0049 0.2264 0.581
Toxoplasma gondii type I fatty acid synthase, putative 0.0035 0.1322 0.3708
Mycobacterium leprae Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas 0.0052 0.2467 0.6337
Toxoplasma gondii type I fatty acid synthase, putative 0.0052 0.2467 1
Onchocerca volvulus Fatty acid synthase homolog 0.0089 0.4888 1
Mycobacterium tuberculosis Polyketide synthase Pks13 0.0074 0.3881 1
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsA 0.0049 0.2264 0.5834
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0089 0.4879 0.4876
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0049 0.2264 0.5834
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0049 0.2264 0.5834
Mycobacterium tuberculosis Probable multifunctional mycocerosic acid synthase membrane-associated Mas 0.0052 0.2467 0.6357
Mycobacterium tuberculosis Polyketide synthase Pks2 0.0048 0.2164 0.5576
Schistosoma mansoni hypothetical protein 0.0033 0.1181 0.1175
Mycobacterium ulcerans thioesterase 0.0041 0.1719 0.443
Mycobacterium tuberculosis Probable polyketide synthase Pks8 0.004 0.1668 0.4299
Onchocerca volvulus 0.0086 0.4685 0.9285
Mycobacterium tuberculosis Probable polyketide synthase Pks5 0.0048 0.2164 0.5576
Loa Loa (eye worm) hypothetical protein 0.0033 0.1181 0.1767
Loa Loa (eye worm) fatty acid synthase 0.0049 0.2221 0.333
Mycobacterium ulcerans polyketide synthase Pks13 0.0074 0.3881 1
Mycobacterium ulcerans polyketide synthase 0.0052 0.2467 0.6357
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.4879 0.4876
Mycobacterium tuberculosis Polyketide synthase Pks12 0.0052 0.2467 0.6357
Mycobacterium tuberculosis Probable fatty acid synthase Fas (fatty acid synthetase) 0.0016 0.0022 0.0056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.4879 0.4876
Mycobacterium tuberculosis Probable thioesterase TesA 0.0041 0.1719 0.443
Mycobacterium ulcerans multifunctional mycocerosic acid synthase membrane-associated Mas 0.0052 0.2467 0.6357
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsC 0.0052 0.2467 0.6357
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0046 0.2049 0.528
Mycobacterium ulcerans thioesterase TesA 0.0041 0.1719 0.443
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0046 0.2049 0.3072
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0089 0.4879 0.7329
Mycobacterium tuberculosis Polyketide synthetase MbtC (polyketide synthase) 0.0017 0.0119 0.0306
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0089 0.4879 0.7332
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsB 0.004 0.1625 0.4188
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.6655 1
Brugia malayi Beta-ketoacyl synthase, N-terminal domain containing protein 0.0049 0.2264 0.3402
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA 0.0049 0.2264 0.581
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.2193 0.3296
Mycobacterium ulcerans Type I modular polyketide synthase 0.0049 0.2264 0.5834
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB 0.004 0.1625 0.4155
Mycobacterium leprae PROBABLE THIOESTERASE TESA 0.0041 0.1719 0.4398
Mycobacterium leprae Polyketide synthase Pks13 0.0074 0.3881 1
Brugia malayi MH2 domain containing protein 0.0116 0.6655 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0007 0.001
Mycobacterium tuberculosis Probable membrane bound polyketide synthase Pks6 0.0074 0.3881 1
Mycobacterium ulcerans polyketide synthase 0.0049 0.2264 0.5834
Mycobacterium tuberculosis Phenolpthiocerol synthesis type-I polyketide synthase PpsD 0.0049 0.2264 0.5834
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE 0.0033 0.1157 0.2941
Brugia malayi AMP-binding enzyme family protein 0.0046 0.2049 0.3079
Mycobacterium leprae PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC 0.0052 0.2467 0.6337
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0089 0.4879 0.4876
Mycobacterium tuberculosis Probable polyketide synthase Pks1 0.0035 0.1343 0.3461
Mycobacterium tuberculosis Probable polyketide synthase Pks15 0.002 0.0317 0.0817
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1181 0.1775
Loa Loa (eye worm) hypothetical protein 0.0048 0.2193 0.3289
Mycobacterium ulcerans polyketide synthase Pks9 0.0033 0.1157 0.2981
Mycobacterium tuberculosis Probable polyketide synthase Pks7 0.0052 0.2467 0.6357
Loa Loa (eye worm) acyl carrier protein 0.0023 0.0498 0.0739
Mycobacterium ulcerans phenolpthiocerol synthesis type-I polyketide synthase PpsE 0.0033 0.1157 0.2981
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.2193 0.3289
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0007 0.001
Mycobacterium ulcerans Type I modular polyketide synthase 0.0049 0.2264 0.5834
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0089 0.4879 0.4876
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0094 0.5192 0.7801
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.2193 0.3296

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.6858 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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

No literature references available for this target.

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