Detailed information for compound 1425733

Basic information

Technical information
  • TDR Targets ID: 1425733
  • Name: 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl) -N-(thiophen-2-ylmethyl)acetamide
  • MW: 349.448 | Formula: C17H23N3O3S
  • H donors: 2 H acceptors: 3 LogP: 2.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN1C(=O)NC2(C1=O)CCCCCCC2)NCc1cccs1
  • InChi: 1S/C17H23N3O3S/c21-14(18-11-13-7-6-10-24-13)12-20-15(22)17(19-16(20)23)8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,11-12H2,(H,18,21)(H,19,23)
  • InChiKey: WIHWOHFNYIJEFH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2-thienylmethyl)acetamide
  • 2-(2,4-diketo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(2-thienylmethyl)acetamide
  • 2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(thiophen-2-ylmethyl)ethanamide
  • T5299621
  • ZINC03432412
  • MLS000334573
  • SMR000249331

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
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
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
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
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) pigment dispersing factor receptor c 0.1266 1 1
Schistosoma mansoni hypothetical protein 0.0865 0.6805 1
Leishmania major isocitrate dehydrogenase, putative 0.0038 0.0208 0.0391
Brugia malayi Calcitonin receptor-like protein seb-1 0.1266 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0247 0.1875 0.1841
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0344 0.0921
Entamoeba histolytica tartrate dehydrogenase, putative 0.0038 0.0208 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0314 0.2409 0.6442
Brugia malayi hypothetical protein 0.0027 0.0118 0.0076
Brugia malayi isocitrate dehydrogenase 0.0314 0.2409 0.2376
Schistosoma mansoni tar DNA-binding protein 0.0481 0.3739 0.5494
Brugia malayi RNA binding protein 0.0481 0.3739 0.3713
Schistosoma mansoni hypothetical protein 0.04 0.3098 0.4553
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0314 0.2409 0.6442
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0314 0.2409 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0206 0.1551 0.5
Loa Loa (eye worm) hypothetical protein 0.0247 0.1875 0.1778
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0038 0.0208 0.0166
Brugia malayi Probable isocitrate dehydrogenase 0.0038 0.0208 0.0166
Schistosoma mansoni tar DNA-binding protein 0.0481 0.3739 0.5494
Loa Loa (eye worm) hypothetical protein 0.0206 0.1551 0.1449
Loa Loa (eye worm) isocitrate dehydrogenase 0.0314 0.2409 0.2318
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.04 0.3098 0.8286
Schistosoma mansoni hypothetical protein 0.04 0.3098 0.4553
Loa Loa (eye worm) RNA binding protein 0.0481 0.3739 0.3664
Toxoplasma gondii isocitrate dehydrogenase 0.0314 0.2409 1
Brugia malayi RNA recognition motif domain containing protein 0.0481 0.3739 0.3713
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0038 0.0208 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.04 0.3098 0.8286
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0314 0.2409 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0314 0.2409 0.6442
Brugia malayi TAR-binding protein 0.0481 0.3739 0.3713
Schistosoma mansoni isocitrate dehydrogenase 0.0038 0.0208 0.0306
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0344 0.0303
Loa Loa (eye worm) hypothetical protein 0.1266 1 1
Echinococcus multilocularis GPCR, family 2 0.04 0.3098 0.8286
Loa Loa (eye worm) hypothetical protein 0.04 0.3098 0.3015
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0344 0.0921
Echinococcus granulosus GPCR family 2 0.04 0.3098 0.8286
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.04 0.3098 0.3069
Schistosoma mansoni tar DNA-binding protein 0.0481 0.3739 0.5494
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.0038 0.0208 0.5
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0038 0.0208 0.0556
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0344 0.0506
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0038 0.0208 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0865 0.6805 0.6792
Schistosoma mansoni tar DNA-binding protein 0.0481 0.3739 0.5494
Schistosoma mansoni hypothetical protein 0.04 0.3098 0.4553
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0038 0.0208 0.0166
Brugia malayi Probable isocitrate dehydrogenase 0.0038 0.0208 0.0166
Brugia malayi Latrophilin receptor protein 2 0.04 0.3098 0.3069
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0038 0.0208 0.0556
Schistosoma mansoni unc-13 (munc13) 0.0038 0.0208 0.0306
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0314 0.2409 0.6442
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0344 0.0506
Brugia malayi N-terminal motif family protein 0.0206 0.1551 0.1515
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0344 0.0921
Toxoplasma gondii isocitrate dehydrogenase 0.0314 0.2409 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0314 0.2409 0.6442
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0038 0.0208 0.0556
Loa Loa (eye worm) TAR-binding protein 0.0481 0.3739 0.3664
Loa Loa (eye worm) latrophilin receptor protein 2 0.04 0.3098 0.3015
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0314 0.2409 1
Schistosoma mansoni tar DNA-binding protein 0.0481 0.3739 0.5494
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0038 0.0208 0.0556
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0038 0.0208 0.0306
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0314 0.2409 1
Echinococcus multilocularis tar DNA binding protein 0.0481 0.3739 1
Schistosoma mansoni hypothetical protein 0.04 0.3098 0.4553
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0038 0.0208 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0344 0.0506
Loa Loa (eye worm) hypothetical protein 0.0865 0.6805 0.6767
Loa Loa (eye worm) hypothetical protein 0.0038 0.0208 0.0091
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0314 0.2409 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0314 0.2409 0.3539
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0344 0.0921
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0314 0.2409 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0314 0.2409 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.04 0.3098 0.8286
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0481 0.3739 0.3664
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0038 0.0208 0.0166
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0314 0.2409 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0038 0.0208 0.0091
Echinococcus multilocularis isocitrate dehydrogenase 0.0314 0.2409 0.6442
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0344 0.0229
Brugia malayi Isocitrate dehydrogenase 0.0314 0.2409 0.2376
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.04 0.3098 0.8286
Echinococcus granulosus tar DNA binding protein 0.0481 0.3739 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 36.458 uM PubChem BioAssay. An HIV-1 Tat-TAR Fluorescence Polarization (FP) Counter Screen to evaluate Inhibitors Targeting HIV-1 Vif-dependent Degradation of Human APOBEC3G. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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) 18.526 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
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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