Detailed information for compound 1536998

Basic information

Technical information
  • TDR Targets ID: 1536998
  • Name: SMR000352669
  • MW: 355.431 | Formula: C20H25N3O3
  • H donors: 1 H acceptors: 3 LogP: 2.05 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCC2(CC1)NC(=O)N(C2=O)CC(=O)N1CCc2c(C1)cccc2
  • InChi: 1S/C20H25N3O3/c1-14-6-9-20(10-7-14)18(25)23(19(26)21-20)13-17(24)22-11-8-15-4-2-3-5-16(15)12-22/h2-5,14H,6-13H2,1H3,(H,21,26)
  • InChiKey: SKROYZRWEZFXAJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC02636677
  • MLS001007449

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
Loa Loa (eye worm) RNA binding protein 0.0199 0.6464 0.6464
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.1693 0.1693
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0052 0.0599 0.3536
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0052 0.0599 0.0749
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0287 1 1
Leishmania major hypothetical protein, conserved 0.0037 0 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0287 1 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0599 0.0599
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.6708 0.6708
Onchocerca volvulus 0.0037 0 0.5
Brugia malayi Ets-domain containing protein 0.0072 0.1418 0.1418
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.1693 1
Schistosoma mansoni hypothetical protein 0.0205 0.6708 0.6708
Brugia malayi TAR-binding protein 0.0199 0.6464 0.6464
Loa Loa (eye worm) hypothetical protein 0.0079 0.1693 0.1693
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.1693 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.0998 0.0998
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0 0.5
Schistosoma mansoni gabp alpha 0.0072 0.1418 0.1418
Brugia malayi Fli-1 protein 0.022 0.7327 0.7327
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0199 0.6464 0.6464
Schistosoma mansoni tar DNA-binding protein 0.0199 0.6464 0.6464
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0287 1 1
Schistosoma mansoni tar DNA-binding protein 0.0199 0.6464 0.6464
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.1693 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0237 0.7995 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0079 0.1693 1
Echinococcus granulosus GA binding protein alpha chain 0.0072 0.1418 0.1418
Echinococcus multilocularis geminin 0.0205 0.6708 0.6708
Echinococcus multilocularis GA binding protein alpha chain 0.0072 0.1418 0.1418
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.1693 0.5
Loa Loa (eye worm) TAR-binding protein 0.0199 0.6464 0.6464
Echinococcus multilocularis tar DNA binding protein 0.0199 0.6464 0.6464
Onchocerca volvulus 0.0037 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0199 0.6464 0.6464
Echinococcus granulosus geminin 0.0205 0.6708 0.6708
Trichomonas vaginalis esterase, putative 0.0037 0 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0 0.5
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.1693 0.1693
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0287 1 1
Brugia malayi Probable ClpP-like protease 0.0079 0.1693 0.1693
Loa Loa (eye worm) fli-1 protein 0.022 0.7327 0.7327
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0599 0.0599
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0079 0.1693 1
Schistosoma mansoni tar DNA-binding protein 0.0199 0.6464 0.6464
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0287 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0199 0.6464 0.6464
Trypanosoma brucei hypothetical protein, conserved 0.0037 0 0.5
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.1693 0.1693
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0 0.5
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.1693 0.5
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.1693 1
Onchocerca volvulus 0.0037 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0287 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0287 1 1
Schistosoma mansoni ets-related 0.022 0.7327 0.7327
Brugia malayi RNA binding protein 0.0199 0.6464 0.6464
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0079 0.1693 0.5
Brugia malayi Ets-domain containing protein 0.0072 0.1418 0.1418
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0072 0.1418 0.1418
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0052 0.0599 0.0749
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.1693 1
Echinococcus granulosus tar DNA binding protein 0.0199 0.6464 0.6464
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0287 1 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0079 0.1693 1
Schistosoma mansoni tar DNA-binding protein 0.0199 0.6464 0.6464
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 100 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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