Detailed information for compound 1518306

Basic information

Technical information
  • TDR Targets ID: 1518306
  • Name: N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-yle thyl]-N-(2-fluorophenyl)thiadiazole-4-carboxa mide
  • MW: 425.479 | Formula: C21H20FN5O2S
  • H donors: 1 H acceptors: 5 LogP: 3.13 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(N(c1ccccc1F)C(=O)c1csnn1)c1ccncc1)NC1CCCC1
  • InChi: 1S/C21H20FN5O2S/c22-16-7-3-4-8-18(16)27(21(29)17-13-30-26-25-17)19(14-9-11-23-12-10-14)20(28)24-15-5-1-2-6-15/h3-4,7-13,15,19H,1-2,5-6H2,(H,24,28)
  • InChiKey: ZGPDYMHYZCUSFZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(cyclopentylamino)-2-oxo-1-(4-pyridyl)ethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
  • N-[2-(cyclopentylamino)-2-oxo-1-(4-pyridyl)ethyl]-N-(2-fluorophenyl)-4-thiadiazolecarboxamide
  • N-[2-(cyclopentylamino)-2-keto-1-(4-pyridyl)ethyl]-N-(2-fluorophenyl)thiadiazole-4-carboxamide
  • N-[2-(cyclopentylamino)-2-oxo-1-pyridin-4-yl-ethyl]-N-(2-fluorophenyl)-1,2,3-thiadiazole-4-carboxamide
  • ASN 06549088

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
Onchocerca volvulus Tyrosine kinase homolog 0.016 0.2763 0.6685
Echinococcus multilocularis Immunoglobulin 0.0016 0.0073 0.0026
Plasmodium vivax SET domain protein, putative 0.0029 0.0314 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0426 0.0741
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0546 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0314 0.0546
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.2384 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0605 0.0561
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0204 0.3583 0.5151
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0426 0.0381
Loa Loa (eye worm) hypothetical protein 0.038 0.6887 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0293 0.0248
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.5126 1
Brugia malayi hypothetical protein 0.0035 0.0426 0.0618
Trypanosoma cruzi C-8 sterol isomerase, putative 0.038 0.6887 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0314 0.0268
Giardia lamblia Fructose-bisphosphate aldolase 0.0286 0.5126 0.5
Schistosoma mansoni vesicular amine transporter 0.0016 0.0073 0.0127
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0605 0.0561
Echinococcus multilocularis sphingosine kinase 1 0.0319 0.5746 0.5726
Schistosoma mansoni hypothetical protein 0.0035 0.0426 0.0741
Loa Loa (eye worm) hypothetical protein 0.0022 0.018 0.0157
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0605 0.0561
Brugia malayi Fibronectin type III domain containing protein 0.0016 0.0073 0.0106
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0605 0.0781
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.002 0.0133 0.0086
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0314 0.0268
Echinococcus granulosus twitchin 0.0019 0.012 0.0073
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.5126 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0133 0.0088
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.4442 0.7015
Echinococcus granulosus neuroglian 0.0019 0.012 0.0073
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0168 0.2909 0.4162
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0286 0.5126 0.8835
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0249 0.4442 0.6411
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0426 0.0381
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.2999 0.0721
Echinococcus multilocularis geminin 0.0166 0.2874 0.284
Echinococcus multilocularis roundabout 2 0.0022 0.018 0.0134
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0605 0.1053
Schistosoma mansoni cell adhesion molecule 0.002 0.0133 0.0232
Brugia malayi Pre-SET motif family protein 0.0204 0.3583 0.5202
Schistosoma mansoni hypothetical protein 0.0166 0.2874 0.5001
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0016 0.0073 0.0026
Echinococcus granulosus sphingosine kinase 1 0.0319 0.5746 0.5726
Echinococcus granulosus defective proboscis extension response 0.0016 0.0073 0.0026
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0016 0.0073 0.0127
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.5126 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0168 0.2909 0.4224
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.5126 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.038 0.6887 0.5
Schistosoma mansoni sphingoid long chain base kinase 0.0319 0.5746 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0314 0.0268
Brugia malayi Immunoglobulin I-set domain containing protein 0.0016 0.0073 0.0106
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0605 0.1053
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.5126 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0314 0.0353
Onchocerca volvulus Glucosylceramidase homolog 0.0164 0.2834 0.6859
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0286 0.5126 0.8835
Loa Loa (eye worm) hypothetical protein 0.0319 0.5746 0.8325
Schistosoma mansoni sphingosine kinase A B 0.0319 0.5746 1
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.4442 0.7015
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0314 0.0546
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0314 0.0546
Schistosoma mansoni titin 0.0015 0.0047 0.0082
Trichomonas vaginalis glucosylceramidase, putative 0.0173 0.2999 0.0721
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.4442 0.7015
Leishmania major C-8 sterol isomerase-like protein 0.038 0.6887 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.5126 1
Echinococcus granulosus Immunoglobulin 0.0016 0.0073 0.0026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0605 0.1053
Echinococcus granulosus roundabout 2 0.0022 0.018 0.0134
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0249 0.4442 0.6449
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.4442 0.7015
Echinococcus multilocularis neuroglian 0.0019 0.012 0.0073
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.5126 1
Brugia malayi hypothetical protein 0.0016 0.0073 0.0106
Schistosoma mansoni hypothetical protein 0.0166 0.2874 0.5001
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.4442 0.7015
Trichomonas vaginalis set domain proteins, putative 0.0232 0.411 0.5568
Loa Loa (eye worm) hypothetical protein 0.0031 0.0354 0.0412
Loa Loa (eye worm) hypothetical protein 0.0194 0.3406 0.4891
Echinococcus granulosus geminin 0.0166 0.2874 0.284
Trichomonas vaginalis glucosylceramidase, putative 0.0249 0.4442 0.7015
Onchocerca volvulus 0.0029 0.0314 0.0656
Onchocerca volvulus 0.0232 0.411 1
Echinococcus multilocularis Immunoglobulin 0.0016 0.0073 0.0026
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0605 0.0561
Mycobacterium tuberculosis Conserved protein 0.0319 0.5746 1
Onchocerca volvulus 0.0146 0.2498 0.6032
Schistosoma mansoni nephrin 0.0019 0.012 0.0209
Treponema pallidum fructose-bisphosphate aldolase 0.0286 0.5126 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0314 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0605 0.0878
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0016 0.0073 0.0127
Brugia malayi Pre-SET motif family protein 0.0029 0.0314 0.0455
Entamoeba histolytica hypothetical protein, conserved 0.0319 0.5746 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.038 0.6887 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0286 0.5126 1
Mycobacterium ulcerans hypothetical protein 0.0319 0.5746 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0314 0.0546

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 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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