Detailed information for compound 1324219

Basic information

Technical information
  • TDR Targets ID: 1324219
  • Name: N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxo-1- pyridin-2-ylethyl]thiadiazole-4-carboxamide
  • MW: 413.536 | Formula: C21H27N5O2S
  • H donors: 1 H acceptors: 5 LogP: 3.32 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(N(C(=O)c1csnn1)C1CCCCC1)c1ccccn1)NC1CCCC1
  • InChi: 1S/C21H27N5O2S/c27-20(23-15-8-4-5-9-15)19(17-12-6-7-13-22-17)26(16-10-2-1-3-11-16)21(28)18-14-29-25-24-18/h6-7,12-16,19H,1-5,8-11H2,(H,23,27)
  • InChiKey: DNVYLWJQVNYVAG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxo-1-(2-pyridyl)ethyl]thiadiazole-4-carboxamide
  • N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxo-1-(2-pyridyl)ethyl]-4-thiadiazolecarboxamide
  • N-cyclohexyl-N-[2-(cyclopentylamino)-2-keto-1-(2-pyridyl)ethyl]thiadiazole-4-carboxamide
  • N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-yl-ethyl]-1,2,3-thiadiazole-4-carboxamide
  • SMR000119218
  • MLS000121841
  • ASN 06567775
  • [1,2,3]Thiadiazole-4-carboxylic acid cyclohexyl-(cyclopentylcarbamoyl-pyridin-2-yl-methyl)-amide

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
Schistosoma mansoni 6-phosphogluconate dehydrogenase 0.0121 1 0.5
Mycobacterium tuberculosis Probable 6-phosphogluconate dehydrogenase, decarboxylating Gnd2 0.0121 1 0.5
Leishmania major 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0121 1 0.5
Trichomonas vaginalis 3-hydroxyisobutyrate dehydrogenase, putative 0.0121 1 0.5
Mycobacterium tuberculosis Probable 6-phosphogluconate dehydrogenase Gnd1 0.0121 1 0.5
Plasmodium vivax 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0121 1 0.5
Giardia lamblia 6-phosphogluconate dehydrogenase, decarboxylating 0.0121 1 0.5
Mycobacterium ulcerans 6-phosphogluconate dehydrogenase 0.0121 1 0.5
Echinococcus multilocularis 6 phosphogluconate dehydrogenase 0.0121 1 0.5
Loa Loa (eye worm) pgd protein 0.0121 1 0.5
Mycobacterium leprae PROBABLE 6-PHOSPHOGLUCONATE DEHYDROGENASE GND1 0.0121 1 0.5
Mycobacterium ulcerans 6-phosphogluconate dehydrogenase 0.0121 1 0.5
Echinococcus granulosus 6 phosphogluconate dehydrogenase 0.0121 1 0.5
Toxoplasma gondii 6-phosphogluconate dehydrogenase 0.0121 1 0.5
Trichomonas vaginalis 6-phosphogluconate dehydrogenase, putative 0.0121 1 0.5
Trichomonas vaginalis 6-phosphogluconate dehydrogenase, putative 0.0121 1 0.5
Trypanosoma brucei 6-phosphogluconate dehydrogenase, decarboxylating 0.0121 1 0.5
Treponema pallidum 6-phosphogluconate dehydrogenase 0.0121 1 0.5
Trypanosoma cruzi 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0121 1 1
Plasmodium falciparum 6-phosphogluconate dehydrogenase, decarboxylating, putative 0.0121 1 0.5
Toxoplasma gondii 6-phosphogluconate dehydrogenase 0.0121 1 0.5
Chlamydia trachomatis 6-phosphogluconate dehydrogenase 0.0121 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 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 TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 26.6795 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) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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