Detailed information for compound 1453079

Basic information

Technical information
  • TDR Targets ID: 1453079
  • Name: N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-1,3-t hiazol-2-amine
  • MW: 348.46 | Formula: C18H24N2O3S
  • H donors: 1 H acceptors: 1 LogP: 4.66 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)c1csc(n1)NC1CCCCC1
  • InChi: 1S/C18H24N2O3S/c1-21-15-9-12(10-16(22-2)17(15)23-3)14-11-24-18(20-14)19-13-7-5-4-6-8-13/h9-11,13H,4-8H2,1-3H3,(H,19,20)
  • InChiKey: OAFFJWURAXUAAK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)thiazol-2-amine
  • N-cyclohexyl-4-(3,4,5-trimethoxyphenyl)-2-thiazolamine
  • cyclohexyl-[4-(3,4,5-trimethoxyphenyl)thiazol-2-yl]amine
  • T5370331

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0066 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0066 1
Entamoeba histolytica hypothetical protein 0.0043 0.0349 1
Echinococcus multilocularis GPCR, family 2 0.0108 0.1018 0.1018
Schistosoma mansoni tar DNA-binding protein 0.0519 0.5249 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0108 0.1018 0.194
Entamoeba histolytica hypothetical protein 0.0043 0.0349 1
Schistosoma mansoni tar DNA-binding protein 0.0519 0.5249 1
Brugia malayi RNA binding protein 0.0519 0.5249 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.1263 0.231
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0066 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0349 0.0349
Entamoeba histolytica hypothetical protein 0.0043 0.0349 1
Giardia lamblia Replication factor C, subunit 1 0.001 0 0.5
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0066 0.5
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0066 0.5
Loa Loa (eye worm) hypothetical protein 0.0108 0.1018 0.1837
Schistosoma mansoni hypothetical protein 0.0234 0.2315 0.441
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0066 0.5
Brugia malayi TAR-binding protein 0.0519 0.5249 1
Brugia malayi Latrophilin receptor protein 2 0.0108 0.1018 0.1837
Schistosoma mansoni hypothetical protein 0.0043 0.0349 0.0666
Schistosoma mansoni hypothetical protein 0.0108 0.1018 0.194
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0066 0.0126
Loa Loa (eye worm) hypothetical protein 0.0234 0.2315 0.4339
Loa Loa (eye worm) latrophilin receptor protein 2 0.0108 0.1018 0.1837
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0108 0.1018 0.194
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0108 0.1018 0.1018
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0342 0.3432 0.6494
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0342 0.3432 0.6494
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0066 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0349 0.0666
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0066 0.0066
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0066 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0349 0.0666
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0519 0.5249 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0066 0.0066
Schistosoma mansoni tar DNA-binding protein 0.0519 0.5249 1
Loa Loa (eye worm) hypothetical protein 0.0342 0.3432 0.6494
Echinococcus granulosus tar DNA binding protein 0.0519 0.5249 1
Schistosoma mansoni hypothetical protein 0.0108 0.1018 0.194
Brugia malayi RNA recognition motif domain containing protein 0.0519 0.5249 1
Echinococcus multilocularis geminin 0.0205 0.2012 0.2012
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0066 0.0066
Brugia malayi MH2 domain containing protein 0.0132 0.1263 0.231
Echinococcus granulosus geminin 0.0205 0.2012 0.3832
Loa Loa (eye worm) TAR-binding protein 0.0519 0.5249 1
Schistosoma mansoni tar DNA-binding protein 0.0519 0.5249 1
Trichomonas vaginalis replication factor C large subunit, putative 0.001 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0 0.5
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0066 0.0066
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.001 0 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0066 0.5
Schistosoma mansoni hypothetical protein 0.0108 0.1018 0.194
Brugia malayi Calcitonin receptor-like protein seb-1 0.0342 0.3432 0.6494
Schistosoma mansoni tar DNA-binding protein 0.0519 0.5249 1
Schistosoma mansoni hypothetical protein 0.0108 0.1018 0.194
Schistosoma mansoni hypothetical protein 0.0205 0.2012 0.3832
Echinococcus granulosus GPCR family 2 0.0108 0.1018 0.194
Entamoeba histolytica hypothetical protein 0.0043 0.0349 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0066 0.0126
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0066 0.0066
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0066 0.5
Schistosoma mansoni hypothetical protein 0.0205 0.2012 0.3832
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.1263 0.231
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0108 0.1018 0.1018
Echinococcus multilocularis tar DNA binding protein 0.0519 0.5249 0.5249
Brugia malayi hypothetical protein 0.0043 0.0349 0.0546
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0108 0.1018 0.1837
Brugia malayi latrophilin 2 splice variant baaae 0.0234 0.2315 0.4339
Loa Loa (eye worm) RNA binding protein 0.0519 0.5249 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2593 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) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.7157 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) 16.3601 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 18.3489 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No 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) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 44.6684 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) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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