Detailed information for compound 1392895

Basic information

Technical information
  • TDR Targets ID: 1392895
  • Name: N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-yle thyl]-N-cyclopropylthiadiazole-4-carboxamide
  • MW: 371.457 | Formula: C18H21N5O2S
  • H donors: 1 H acceptors: 5 LogP: 2.06 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(N(C(=O)c1csnn1)C1CC1)c1ccccn1)NC1CCCC1
  • InChi: 1S/C18H21N5O2S/c24-17(20-12-5-1-2-6-12)16(14-7-3-4-10-19-14)23(13-8-9-13)18(25)15-11-26-22-21-15/h3-4,7,10-13,16H,1-2,5-6,8-9H2,(H,20,24)
  • InChiKey: SYKXCQKXYGYHEK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(cyclopentylamino)-2-oxo-1-(2-pyridyl)ethyl]-N-cyclopropyl-thiadiazole-4-carboxamide
  • N-[2-(cyclopentylamino)-2-oxo-1-(2-pyridyl)ethyl]-N-cyclopropyl-4-thiadiazolecarboxamide
  • N-[2-(cyclopentylamino)-2-keto-1-(2-pyridyl)ethyl]-N-cyclopropyl-thiadiazole-4-carboxamide
  • N-[2-(cyclopentylamino)-2-oxo-1-pyridin-2-yl-ethyl]-N-cyclopropyl-1,2,3-thiadiazole-4-carboxamide
  • ASN 06567237
  • MLS000032672
  • SMR000006871
  • [1,2,3]Thiadiazole-4-carboxylic acid (cyclopentylcarbamoyl-pyridin-2-yl-methyl)-cyclopropyl-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
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
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
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
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
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
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0055 0.0055 0.005
Brugia malayi PXA domain containing protein 0.0909 0.0977 0.3685
Schistosoma mansoni cpg binding protein 0.0037 0.0035 0.013
Brugia malayi Regulator of G protein signaling domain containing protein 0.0909 0.0977 0.3685
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.091 0.0978 0.3687
Echinococcus multilocularis regulator of G protein signaling 0.2449 0.264 0.2637
Echinococcus granulosus cpg binding protein 0.0037 0.0035 0.003
Entamoeba histolytica hypothetical protein 0.0909 0.0977 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0004 0.004
Brugia malayi PXA domain containing protein 0.0909 0.0977 0.3685
Onchocerca volvulus 0.0055 0.0055 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0909 0.0977 0.3685
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0004 0.004
Echinococcus multilocularis protein kinase shaggy 0.0055 0.0055 0.005
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0909 0.0977 0.0973
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0005 0.0015
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0055 0.0055 0.5
Brugia malayi hypothetical protein 0.0909 0.0977 0.3685
Entamoeba histolytica hypothetical protein 0.0909 0.0977 1
Trypanosoma brucei protein kinase, putative 0.0055 0.0055 0.5
Echinococcus granulosus protein kinase shaggy 0.0055 0.0055 0.005
Loa Loa (eye worm) hypothetical protein 0.0909 0.0977 0.3685
Echinococcus granulosus beta-adrenergic receptor kinase 0.091 0.0978 0.0974
Schistosoma mansoni cpg binding protein 0.0035 0.0033 0.0122
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0055 0.005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0055 0.0206
Echinococcus granulosus regulator of G protein signaling 7 0.0909 0.0977 0.0973
Schistosoma mansoni regulator of G protein signaling 0.2449 0.264 1
Echinococcus granulosus Regulator of G protein signaling 20 0.0909 0.0977 0.0973
Loa Loa (eye worm) PXA domain-containing protein 0.0909 0.0977 0.3685
Echinococcus multilocularis cpg binding protein 0.0037 0.0035 0.003
Echinococcus multilocularis axis inhibition protein axin 0.0909 0.0977 0.0973
Echinococcus multilocularis regulator of G protein signaling 3 0.2449 0.264 0.2637
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0055 0.005
Loa Loa (eye worm) RGS-3 protein 0.0909 0.0977 0.3685
Plasmodium falciparum glycogen synthase kinase 3 0.0055 0.0055 0.5
Echinococcus granulosus axis inhibition protein axin 0.0909 0.0977 0.0973
Loa Loa (eye worm) hypothetical protein 0.0909 0.0977 0.3685
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0055 0.0055 0.0204
Schistosoma mansoni regulator of G protein signaling 0.2449 0.264 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0007 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0909 0.0977 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0055 0.0055 0.0181
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0909 0.0977 0.37
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0066 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0055 0.005
Echinococcus multilocularis Regulator of G protein signaling 20 0.0909 0.0977 0.0973
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0055 0.0183
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.004
Brugia malayi regulator of G-protein signaling rgs-7 0.2449 0.264 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0909 0.0977 0.0973
Loa Loa (eye worm) hypothetical protein 0.2449 0.264 1
Echinococcus granulosus regulator of G protein signaling 3 0.2449 0.264 0.2637
Brugia malayi A-kinase anchor protein 10, precursor 0.0909 0.0977 0.3685
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0004 0.004
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.091 0.0978 0.3687
Trichomonas vaginalis conserved hypothetical protein 0.0909 0.0977 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.004
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.091 0.0978 0.3687
Echinococcus granulosus regulator of G protein signaling 3 0.2449 0.264 0.2637
Brugia malayi CXXC zinc finger family protein 0.0035 0.0033 0.0099
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0004 0.004
Brugia malayi hypothetical protein 0.0909 0.0977 0.3685
Echinococcus granulosus regulator of G protein signaling 7 0.0909 0.0977 0.0973
Schistosoma mansoni serine/threonine protein kinase 0.091 0.0978 0.3702
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0055 0.0558
Schistosoma mansoni cpg binding protein 0.0037 0.0035 0.013
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0075 0.0281
Echinococcus multilocularis regulator of G protein signaling 7 0.0909 0.0977 0.0973
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0055 0.0183
Trichomonas vaginalis helicase, putative 0.0008 0.0004 0.004
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.004
Echinococcus multilocularis axis inhibition protein axin 0.0909 0.0977 0.0973
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0909 0.0977 0.37
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0055 0.0055 0.005
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0033 0.0098
Echinococcus multilocularis beta adrenergic receptor kinase 0.091 0.0978 0.0974
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.004
Giardia lamblia Kinase, CMGC GSK 0.0055 0.0055 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0055 0.0206
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0004 0.004
Trichomonas vaginalis conserved hypothetical protein 0.0909 0.0977 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0055 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.004
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.004
Giardia lamblia Kinase, CMGC GSK 0.0055 0.0055 0.5
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0055 0.0055 0.5
Schistosoma mansoni axis inhibition protein axin 0.0909 0.0977 0.37
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0055 0.0055 0.0181
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0909 0.0977 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0007 0.0002
Schistosoma mansoni hypothetical protein 0.0494 0.0529 0.2001
Entamoeba histolytica hypothetical protein 0.0909 0.0977 1
Schistosoma mansoni axis inhibition protein axin 0.0909 0.0977 0.37
Schistosoma mansoni serine/threonine protein kinase 0.091 0.0978 0.3702
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0004 0.004
Trichomonas vaginalis conserved hypothetical protein 0.0909 0.0977 1
Schistosoma mansoni z-protein (S1r protein) 0.0909 0.0977 0.37
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.004
Schistosoma mansoni regulator of G protein signaling 0.0909 0.0977 0.37
Plasmodium vivax glycogen synthase kinase 3, putative 0.0055 0.0055 0.5
Brugia malayi regulator of G-protein signaling egl-10 0.0909 0.0977 0.3685
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.0529 0.0524
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0909 0.0977 0.3685
Brugia malayi intracellular kinase 0.0055 0.0055 0.0181
Trichomonas vaginalis conserved hypothetical protein 0.0909 0.0977 1
Loa Loa (eye worm) hypothetical protein 0.0909 0.0977 0.3685
Trichomonas vaginalis conserved hypothetical protein 0.0909 0.0977 1
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0909 0.0977 0.0973
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0909 0.0977 0.37
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0004 0.004
Loa Loa (eye worm) hypothetical protein 0.0909 0.0977 0.3685
Echinococcus multilocularis expressed protein 0.9264 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.004
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0004 0.004
Echinococcus multilocularis regulator of G protein signaling 3 0.2449 0.264 0.2637
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.0055 0.0558
Echinococcus granulosus axis inhibition protein axin 0.0909 0.0977 0.0973
Schistosoma mansoni regulator of G protein signaling 0.0909 0.0977 0.37
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0055 0.0206
Loa Loa (eye worm) hypothetical protein 0.0909 0.0977 0.3685
Schistosoma mansoni regulator of G protein signaling 0.0909 0.0977 0.37
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0004 0.004
Schistosoma mansoni serine/threonine protein kinase 0.091 0.0978 0.3702
Echinococcus granulosus dnaJ subfamily B 0.0494 0.0529 0.0524

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.2589 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 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) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Iinhibitors of HIV-1 Budding by Blocking the Interaction of PTAP/TSG101. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485342, AID485388] 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.

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