Detailed information for compound 302166

Basic information

Technical information
  • TDR Targets ID: 302166
  • Name: (Z)-2-benzyl-3-[2-butyl-3-[(2-chlorophenyl)me thyl]imidazol-4-yl]prop-2-enoic acid
  • MW: 408.921 | Formula: C24H25ClN2O2
  • H donors: 1 H acceptors: 3 LogP: 5.89 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCc1ncc(n1Cc1ccccc1Cl)/C=C(\C(=O)O)/Cc1ccccc1
  • InChi: 1S/C24H25ClN2O2/c1-2-3-13-23-26-16-21(27(23)17-19-11-7-8-12-22(19)25)15-20(24(28)29)14-18-9-5-4-6-10-18/h4-12,15-16H,2-3,13-14,17H2,1H3,(H,28,29)/b20-15-
  • InChiKey: MNKLESADFMVAAA-HKWRFOASSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (Z)-2-benzyl-3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-2-propenoic acid
  • (Z)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(phenylmethyl)prop-2-enoic acid
  • (Z)-2-benzyl-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]acrylic acid
  • (Z)-3-[2-butyl-3-[(2-chlorophenyl)methyl]-4-imidazolyl]-2-(phenylmethyl)prop-2-enoic acid
  • (Z)-2-(benzyl)-3-[2-butyl-3-(2-chlorobenzyl)imidazol-4-yl]acrylic acid

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
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0143 0.0188 0.0188
Brugia malayi hypothetical protein 0.0143 0.0188 0.1049
Schistosoma mansoni tyrosine kinase 0.0236 0.04 0.04
Echinococcus multilocularis epidermal growth factor receptor 0.0318 0.0587 0.0587
Loa Loa (eye worm) hypothetical protein 0.0143 0.0188 0.1049
Plasmodium vivax amine transporter, putative 0.0143 0.0188 0.5
Loa Loa (eye worm) hypothetical protein 0.0143 0.0188 0.1049
Toxoplasma gondii hypothetical protein 0.0143 0.0188 1
Entamoeba histolytica DNA repair and recombination protein, putative 0.4429 1 0.5
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0143 0.0188 0.0188
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0143 0.0188 0.1049
Echinococcus multilocularis sodium and chloride dependent glycine 0.0143 0.0188 0.0188
Treponema pallidum sodium- and chloride- dependent transporter 0.0845 0.1794 0.5
Loa Loa (eye worm) TK/EGFR protein kinase 0.0318 0.0587 0.3274
Loa Loa (eye worm) hypothetical protein 0.0143 0.0188 0.1049
Loa Loa (eye worm) hypothetical protein 0.0845 0.1794 1
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1262 0.2748 0.2748
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0143 0.0188 0.0188
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0143 0.0188 0.5
Schistosoma mansoni tyrosine kinase 0.0236 0.04 0.04
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0143 0.0188 0.1049
Giardia lamblia Rrm3p helicase 0.4429 1 1
Loa Loa (eye worm) serotonin transporter b 0.0845 0.1794 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0143 0.0188 0.0188
Echinococcus multilocularis sodium and chloride dependent glycine 0.0143 0.0188 0.0188
Trichomonas vaginalis conserved hypothetical protein 0.4429 1 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.4429 1 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0143 0.0188 0.0188
Brugia malayi Furin-like cysteine rich region family protein 0.0318 0.0587 0.3274
Plasmodium falciparum transporter, putative 0.0143 0.0188 0.5
Echinococcus multilocularis serotonin transporter 0.0845 0.1794 0.1794
Echinococcus granulosus epidermal growth factor receptor 0.0236 0.04 0.04
Echinococcus granulosus epidermal growth factor receptor 0.0318 0.0587 0.0587
Schistosoma mansoni tyrosine kinase 0.0318 0.0587 0.0587
Echinococcus multilocularis epidermal growth factor receptor 0.0236 0.04 0.04
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0367 0.0699 0.0699
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.4429 1 1
Echinococcus granulosus serotonin transporter 0.0845 0.1794 0.1794
Loa Loa (eye worm) hypothetical protein 0.0143 0.0188 0.1049
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.4429 1 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.0188 0.1049
Schistosoma mansoni tyrosine kinase 0.0367 0.0699 0.0699
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0143 0.0188 0.0188
Entamoeba histolytica hypothetical protein, conserved 0.4429 1 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0845 0.1794 1
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0143 0.0188 0.0188
Toxoplasma gondii hypothetical protein 0.0143 0.0188 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0143 0.0188 0.0188
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.4429 1 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.4429 1 1
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0143 0.0188 0.0188
Schistosoma mansoni sodium/chloride dependent transporter 0.0144 0.0189 0.0189
Schistosoma mansoni hypothetical protein 0.4429 1 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.0188 0.1049
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0143 0.0188 0.0188
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0143 0.0188 1
Loa Loa (eye worm) hypothetical protein 0.0845 0.1794 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0143 0.0188 0.0188
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.4429 1 1
Loa Loa (eye worm) TK/INSR protein kinase 0.0367 0.0699 0.3898
Brugia malayi Protein kinase domain containing protein 0.0173 0.0255 0.1422
Trypanosoma brucei RNA helicase, putative 0.0083 0.0049 0.0049
Plasmodium vivax hypothetical protein, conserved 0.0143 0.0188 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0143 0.0188 0.1049
Schistosoma mansoni sodium/chloride dependent transporter 0.0143 0.0188 0.0188
Loa Loa (eye worm) norepinephrine transporter 0.0845 0.1794 1
Echinococcus multilocularis insulin receptor 0.0367 0.0699 0.0699
Plasmodium falciparum amino acid transporter, putative 0.0143 0.0188 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0143 0.0188 0.1049
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0229 0.0385 0.0385
Schistosoma mansoni tyrosine kinase 0.0233 0.0392 0.0392
Loa Loa (eye worm) hypothetical protein 0.0845 0.1794 1
Brugia malayi Protein kinase domain containing protein 0.0367 0.0699 0.3898
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.4429 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0143 0.0188 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0143 0.0188 0.1049
Loa Loa (eye worm) hypothetical protein 0.0169 0.0247 0.1377
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0143 0.0188 0.0188
Schistosoma mansoni hypothetical protein 0.0083 0.0049 0.0049
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0143 0.0188 0.0188
Schistosoma mansoni sodium/chloride dependent transporter 0.0845 0.1794 0.1794
Schistosoma mansoni tyrosine kinase 0.0367 0.0699 0.0699
Schistosoma mansoni tyrosine kinase 0.0233 0.0392 0.0392
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.4429 1 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0143 0.0188 0.0188
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0236 0.04 0.04
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0845 0.1794 0.1794
Echinococcus granulosus sodium and chloride dependent glycine 0.0143 0.0188 0.0188
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0143 0.0188 0.0188
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0143 0.0188 0.0188
Schistosoma mansoni tyrosine kinase 0.0233 0.0392 0.0392
Echinococcus granulosus insulin receptor 0.0367 0.0699 0.0699
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0143 0.0188 0.0188
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0143 0.0188 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.0188 0.1049
Onchocerca volvulus 0.0845 0.1794 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0143 0.0188 0.1049
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0845 0.1794 1
Echinococcus multilocularis 0.0095 0.0078 0.0078
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0367 0.0699 0.0699

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.6 uM The compound was evaluated for the inhibition of [125I]- Angiotensin II (AII) binding to rat mesenteric membranes ChEMBL. No reference
IC50 (binding) = 38 uM Inhibition of [125I]-angiotensin II specific binding to rat mesenteric arteries ChEMBL. 1433195
ID50 (functional) = 14 mg kg-1 The compound was evaluated for the inhibition of Angiotensin II (AII) pressor response in conscious normotensive rats ChEMBL. No reference
KB (functional) = 0.064 uM The compound was evaluated for the inhibition of angiotensin II (AII) induced rabbit aorta constriction ChEMBL. No reference
Kb (functional) = 8.7 uM Compound was evaluated for the inhibition of AII-induced vasoconstriction of the rabbit aorta ChEMBL. 1433195

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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