Detailed information for compound 1432079

Basic information

Technical information
  • TDR Targets ID: 1432079
  • Name: (4-bromophenyl)-(2-morpholin-4-yl-4-phenyl-1, 3-thiazol-5-yl)methanone hydrobromide
  • MW: 510.242 | Formula: C20H18Br2N2O2S
  • H donors: 0 H acceptors: 2 LogP: 6.03 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 2
  • SMILES: Brc1ccc(cc1)C(=O)c1sc(nc1c1ccccc1)N1CCOCC1.Br
  • InChi: 1S/C20H17BrN2O2S.BrH/c21-16-8-6-15(7-9-16)18(24)19-17(14-4-2-1-3-5-14)22-20(26-19)23-10-12-25-13-11-23;/h1-9H,10-13H2;1H
  • InChiKey: YDSQSCWUDJBVBA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (4-bromophenyl)-(2-morpholino-4-phenyl-thiazol-5-yl)methanone hydrobromide
  • (4-bromophenyl)-(2-morpholino-4-phenyl-5-thiazolyl)methanone hydrobromide
  • T0503-4047

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens l(3)mbt-like 1 (Drosophila) Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Echinococcus multilocularis endonuclease exonuclease phosphatase Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 4 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma mansoni hypothetical protein Get druggable targets OG5_130415 All targets in OG5_130415
Schistosoma japonicum Lethal(3)malignant brain tumor-like 3 protein, putative Get druggable targets OG5_130415 All targets in OG5_130415
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
Schistosoma mansoni CD36-like class B scavenger receptor 0.0729 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.0081 0.0081
Echinococcus multilocularis histone acetyltransferase MYST2 0.0066 0.0412 0.0334
Loa Loa (eye worm) hypothetical protein 0.0275 0.3444 0.3444
Echinococcus multilocularis CD36 class B scavenger receptor 0.0729 1 1
Echinococcus multilocularis lysosome membrane protein 2 0.0729 1 1
Schistosoma mansoni cd36 antigen 0.0275 0.3444 0.3352
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0066 0.0412 0.0334
Loa Loa (eye worm) mbt repeat family protein 0.0058 0.0297 0.0297
Brugia malayi hypothetical protein 0.0275 0.3444 0.339
Echinococcus multilocularis SAM and MBT domain containing protein 0.0058 0.0297 0.0218
Echinococcus granulosus CD36 class B scavenger receptor 0.0729 1 1
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0297 0.0161
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0227 0.2744 0.2685
Schistosoma mansoni myelin transcription factor 1 myt1 0.0066 0.0412 0.0278
Echinococcus granulosus CD36 class B scavenger receptor 0.0729 1 1
Schistosoma mansoni CD36-like class B scavenger receptor 0.0729 1 1
Schistosoma mansoni scavenger receptor class B type-2 (sr-B2) 0.0729 1 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0412 0.0412
Loa Loa (eye worm) hypothetical protein 0.0275 0.3444 0.3444
Echinococcus granulosus CD36 class B scavenger receptor 0.0729 1 1
Loa Loa (eye worm) hypothetical protein 0.0729 1 1
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0058 0.0297 0.0161
Brugia malayi mbt repeat family protein 0.0058 0.0297 0.0218
Echinococcus granulosus CD36 class B scavenger receptor 0.0729 1 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0066 0.0412 0.0334
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0041 0.5
Loa Loa (eye worm) hypothetical protein 0.0729 1 1
Echinococcus multilocularis CD36 class B scavenger receptor 0.0729 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.2421 0.2315
Schistosoma mansoni sex comb on midleg homolog 0.0058 0.0297 0.0161
Echinococcus multilocularis geminin 0.0205 0.2421 0.2359
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0066 0.0412 0.0334
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0227 0.2744 0.2685
Echinococcus granulosus histone acetyltransferase MYST2 0.0066 0.0412 0.0334
Schistosoma mansoni hypothetical protein 0.035 0.4523 0.4447
Loa Loa (eye worm) MBCTL1 0.0066 0.0412 0.0412
Echinococcus granulosus lysosome membrane protein 2 0.0729 1 1
Echinococcus granulosus polycomb protein SCMH1 0.0058 0.0297 0.0218
Brugia malayi hypothetical protein 0.0275 0.3444 0.339
Onchocerca volvulus Lysosome membrane protein 2 homolog 0.0729 1 1
Brugia malayi mbt repeat family protein 0.0058 0.0297 0.0218
Echinococcus granulosus SAM and MBT domain containing protein 0.0058 0.0297 0.0218
Loa Loa (eye worm) hypothetical protein 0.0275 0.3444 0.3444
Loa Loa (eye worm) hypothetical protein 0.0729 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.2421 0.2315
Echinococcus multilocularis CD36 class B scavenger receptor 0.0729 1 1
Echinococcus granulosus CD36 class B scavenger receptor 0.0729 1 1
Echinococcus multilocularis CD36 class B scavenger receptor 0.0729 1 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.0297 0.0297
Echinococcus multilocularis CD36 class B scavenger receptor 0.0729 1 1
Echinococcus granulosus geminin 0.0205 0.2421 0.2359
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0041 0.5
Echinococcus multilocularis polycomb protein SCMH1 0.0058 0.0297 0.0218

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] 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) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 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) 29.0929 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) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 35.4813 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) = 39.8107 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
Potency (binding) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 79.4328 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) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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
Potency (functional) 89.1251 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.