Detailed information for compound 1484216

Basic information

Technical information
  • TDR Targets ID: 1484216
  • Name: N-[3-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)m ethylamino]-3-oxopropyl]-3,5-dimethylbenzamid e
  • MW: 372.418 | Formula: C19H24N4O4
  • H donors: 2 H acceptors: 4 LogP: 0.15 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NCc1cc(=O)n(c(=O)n1C)C)CCNC(=O)c1cc(C)cc(c1)C
  • InChi: 1S/C19H24N4O4/c1-12-7-13(2)9-14(8-12)18(26)20-6-5-16(24)21-11-15-10-17(25)23(4)19(27)22(15)3/h7-10H,5-6,11H2,1-4H3,(H,20,26)(H,21,24)
  • InChiKey: QDPVTIMGDNTHOZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-[(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)methylamino]-3-oxo-propyl]-3,5-dimethyl-benzamide
  • N-[3-[(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)methylamino]-3-oxopropyl]-3,5-dimethylbenzamide
  • N-[3-[(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)methylamino]-3-keto-propyl]-3,5-dimethyl-benzamide
  • ZINC06755185

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
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 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 granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
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 jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0569 0.0569
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.021 0.021
Brugia malayi jmjC domain containing protein 0.0043 0.021 0.021
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0087 0.1463 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0569 0.0569
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.021 0.021
Echinococcus multilocularis geminin 0.0205 0.4814 0.4814
Plasmodium vivax hypothetical protein, conserved 0.0035 0 0.5
Onchocerca volvulus 0.0087 0.1463 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0569 0.0569
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2276 0.2276
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0569 0.0569
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1065 0.1065
Trypanosoma brucei diacylglycerol acyltransferase, putative 0.0087 0.1463 0.5
Toxoplasma gondii dgat2l1-prov protein 0.0087 0.1463 1
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0087 0.1463 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2276 0.2276
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0569 0.0569
Brugia malayi diacylglycerol acyltransferase family protein 0.0087 0.1463 0.1463
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.0387 1 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0392 0.0392
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0087 0.1463 0.1463
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0087 0.1463 0.1463
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0569 0.0569
Giardia lamblia PHD finger protein 15 0.0035 0 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.4814 0.4814
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0569 0.0569
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.021 0.021
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0392 0.0392
Plasmodium falciparum phd finger protein, putative 0.0035 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0569 0.0569
Leishmania major diacylglycerol acyltransferase, putative 0.0087 0.1463 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.4814 0.4814
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.021 0.021
Loa Loa (eye worm) hypothetical protein 0.0387 1 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0715 0.0715
Echinococcus granulosus geminin 0.0205 0.4814 0.4814
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.0387 1 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.021 0.021
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1603 0.1603
Brugia malayi jmjC domain containing protein 0.0115 0.2276 0.2276
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.0387 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0569 0.0569

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2818 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) 1 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) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 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) 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

Species name Source Reference Is orphan
Homo sapiens 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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