Detailed information for compound 1518811

Basic information

Technical information
  • TDR Targets ID: 1518811
  • Name: N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]- N-(4-methoxyphenyl)thiadiazole-4-carboxamide
  • MW: 436.527 | Formula: C23H24N4O3S
  • H donors: 1 H acceptors: 4 LogP: 4.07 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)N(C(=O)c1csnn1)C(c1ccccc1)C(=O)NC1CCCC1
  • InChi: 1S/C23H24N4O3S/c1-30-19-13-11-18(12-14-19)27(23(29)20-15-31-26-25-20)21(16-7-3-2-4-8-16)22(28)24-17-9-5-6-10-17/h2-4,7-8,11-15,17,21H,5-6,9-10H2,1H3,(H,24,28)
  • InChiKey: JOJGRLBIRIIBSS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(cyclopentylamino)-2-oxo-1-phenyl-ethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide
  • N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(4-methoxyphenyl)-4-thiadiazolecarboxamide
  • N-[2-(cyclopentylamino)-2-keto-1-phenyl-ethyl]-N-(4-methoxyphenyl)thiadiazole-4-carboxamide
  • N-[2-(cyclopentylamino)-2-oxo-1-phenyl-ethyl]-N-(4-methoxyphenyl)-1,2,3-thiadiazole-4-carboxamide
  • ASN 06291409

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.3081 0.3907
Brugia malayi TAR-binding protein 0.0061 0.5626 0.516
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.2951 0.4076
Brugia malayi Bromodomain containing protein 0.0046 0.3378 0.2673
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.3081 0.3198
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.3081 0.3907
Schistosoma mansoni bromodomain containing protein 0.0076 0.7886 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0061 0.5626 0.6014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.3081 0.4256
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0535 0.0679
Brugia malayi RNA binding protein 0.0061 0.5626 0.516
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.3081 0.3907
Brugia malayi RNA recognition motif domain containing protein 0.0061 0.5626 0.516
Loa Loa (eye worm) RNA binding protein 0.0061 0.5626 0.6014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.3081 0.4256
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.3081 0.2344
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0535 0.0739
Loa Loa (eye worm) hypothetical protein 0.0049 0.3818 0.4014
Schistosoma mansoni tar DNA-binding protein 0.0061 0.5626 0.7135
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.3081 0.4256
Echinococcus multilocularis tar DNA binding protein 0.0061 0.5626 0.7771
Loa Loa (eye worm) hypothetical protein 0.0046 0.3391 0.3541
Echinococcus granulosus tar DNA binding protein 0.0061 0.5626 0.7771
Schistosoma mansoni tar DNA-binding protein 0.0061 0.5626 0.7135
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0535 0.0739
Loa Loa (eye worm) TAR-binding protein 0.0061 0.5626 0.6014
Schistosoma mansoni tar DNA-binding protein 0.0061 0.5626 0.7135
Schistosoma mansoni hypothetical protein 0.0025 0.0191 0.0242
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.2951 0.4076
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.3081 0.4256
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.724 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.4163 0.4395
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.724 1
Schistosoma mansoni tar DNA-binding protein 0.0061 0.5626 0.7135
Schistosoma mansoni tar DNA-binding protein 0.0061 0.5626 0.7135
Loa Loa (eye worm) hypothetical protein 0.0085 0.9228 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 63.0957 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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