Detailed information for compound 1354951

Basic information

Technical information
  • TDR Targets ID: 1354951
  • Name: N-(3-chlorophenyl)-N'-(1-methyl-1H-pyrazol-5- yl)urea
  • MW: 250.684 | Formula: C11H11ClN4O
  • H donors: 2 H acceptors: 2 LogP: 1.76 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccnn1C)Nc1cccc(c1)Cl
  • InChi: 1S/C11H11ClN4O/c1-16-10(5-6-13-16)15-11(17)14-9-4-2-3-8(12)7-9/h2-7H,1H3,(H2,14,15,17)
  • InChiKey: WBLAHBMTWKXFAB-UHFFFAOYSA-N  

Network

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Synonyms

  • SMR000457990
  • ZINC00116624
  • MLS001111230

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352

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
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0189 0.1255 0.1458
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0189 0.1255 0.0226
Brugia malayi Cytochrome P450 family protein 0.0066 0.0276 0.0321
Loa Loa (eye worm) hypothetical protein 0.0189 0.1255 0.1458
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0189 0.1255 0.0226
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0189 0.1255 0.1458
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0273 0.1926 0.2238
Onchocerca volvulus 0.1112 0.8606 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.1255 0.1458
Loa Loa (eye worm) hypothetical protein 0.0189 0.1255 0.1458
Echinococcus multilocularis sodium and chloride dependent glycine 0.0189 0.1255 0.0076
Loa Loa (eye worm) hypothetical protein 0.1112 0.8606 1
Brugia malayi hypothetical protein 0.0189 0.1255 0.1458
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0189 0.1255 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0031 0 0.5
Plasmodium vivax amine transporter, putative 0.0189 0.1255 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0189 0.1255 0.1458
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0189 0.1255 0.0076
Loa Loa (eye worm) serotonin transporter b 0.1112 0.8606 1
Trypanosoma brucei cytochrome P450, putative 0.0031 0 0.5
Toxoplasma gondii hypothetical protein 0.0189 0.1255 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0189 0.1255 0.0226
Giardia lamblia Kinesin-5 0.0167 0.1083 0.5
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0189 0.1255 0.0076
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0189 0.1255 0.1458
Schistosoma mansoni sodium/chloride dependent transporter 0.0189 0.1255 0.0226
Brugia malayi Sodium:neurotransmitter symporter family protein 0.1112 0.8606 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.1255 0.1458
Toxoplasma gondii hypothetical protein 0.0189 0.1255 1
Brugia malayi follicle stimulating hormone receptor 0.0273 0.1926 0.2238
Echinococcus multilocularis sodium and chloride dependent glycine 0.0189 0.1255 0.0076
Echinococcus multilocularis serotonin transporter 0.1112 0.8606 0.8419
Loa Loa (eye worm) hypothetical protein 0.1112 0.8606 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0189 0.1255 0.1458
Loa Loa (eye worm) cytochrome P450 family protein 0.0066 0.0276 0.0321
Schistosoma mansoni hypothetical protein 0.112 0.8669 1
Schistosoma mansoni sodium/chloride dependent transporter 0.1112 0.8606 0.9918
Schistosoma mansoni sodium/chloride dependent transporter 0.0189 0.1255 0.0226
Schistosoma mansoni sodium-dependent amino acid transporter 0.0189 0.1255 0.0226
Loa Loa (eye worm) hypothetical protein 0.1112 0.8606 1
Plasmodium falciparum transporter, putative 0.0189 0.1255 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.1255 0.1458
Treponema pallidum sodium- and chloride- dependent transporter 0.1112 0.8606 0.5
Loa Loa (eye worm) hypothetical protein 0.0189 0.1255 0.1458
Echinococcus granulosus serotonin transporter 0.1112 0.8606 0.8419
Loa Loa (eye worm) kinesin-like protein KLP2 0.0167 0.1083 0.1258
Plasmodium falciparum amino acid transporter, putative 0.0189 0.1255 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0031 0 0.5
Leishmania major cytochrome p450-like protein 0.0031 0 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0189 0.1255 0.0226
Trypanosoma cruzi cytochrome P450, putative 0.0031 0 0.5
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0189 0.1255 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0189 0.1255 0.0076
Brugia malayi Kinesin motor domain containing protein 0.0167 0.1083 0.1258
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0189 0.1255 0.0226
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0189 0.1255 0.0076
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0189 0.1255 0.0076
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0189 0.1255 1
Loa Loa (eye worm) hypothetical protein 0.0189 0.1255 0.1458
Echinococcus granulosus sodium and chloride dependent glycine 0.0189 0.1255 0.0076
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0189 0.1255 0.0226
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0189 0.1255 0.0076
Echinococcus multilocularis kinesin family 1 0.1287 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0189 0.1255 0.1458
Echinococcus granulosus sodium and chloride dependent glycine 0.0189 0.1255 0.0076
Entamoeba histolytica kinesin, putative 0.0167 0.1083 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.1112 0.8606 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0189 0.1255 0.0076
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0189 0.1255 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1188 0.138
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0189 0.1255 0.0226
Brugia malayi Muscleblind-like protein 0.018 0.1188 0.138
Plasmodium vivax hypothetical protein, conserved 0.0189 0.1255 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0189 0.1255 0.0226
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.1112 0.8606 0.9918
Loa Loa (eye worm) hypothetical protein 0.018 0.1188 0.138
Loa Loa (eye worm) norepinephrine transporter 0.1112 0.8606 1

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) 1.157 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding: Initial hit validation in AlphaScreen assay for MBNL1-(CUG)12 binding. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2675, AID2700] ChEMBL. No reference
Potency (binding) 8.1911 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding: Initial hit validation from the primary screen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2675, AID2700] ChEMBL. No reference
Potency (binding) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 32.6092 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding: Counterscreen HTRF assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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: 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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