Detailed information for compound 1216226

Basic information

Technical information
  • TDR Targets ID: 1216226
  • Name: N-[[6-chloro-2-(trifluoromethyl)-7-(2,4,6-tri methylphenyl)imidazo[3,2-a]imidazol-3-yl]meth yl]-2,2,2-trifluoro-N-(2-phenylethyl)ethanami ne
  • MW: 542.947 | Formula: C26H25ClF6N4
  • H donors: 0 H acceptors: 1 LogP: 8.5 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: Cc1cc(C)c(c(c1)C)n1c(Cl)cn2c1nc(c2CN(CC(F)(F)F)CCc1ccccc1)C(F)(F)F
  • InChi: 1S/C26H25ClF6N4/c1-16-11-17(2)22(18(3)12-16)37-21(27)14-36-20(23(26(31,32)33)34-24(36)37)13-35(15-25(28,29)30)10-9-19-7-5-4-6-8-19/h4-8,11-12,14H,9-10,13,15H2,1-3H3
  • InChiKey: YURNDKRNZCVEBP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[[6-chloro-2-(trifluoromethyl)-7-(2,4,6-trimethylphenyl)-3-imidazo[3,2-a]imidazolyl]methyl]-2,2,2-trifluoro-N-(2-phenylethyl)ethanamine
  • [6-chloro-2-(trifluoromethyl)-7-(2,4,6-trimethylphenyl)imidazo[3,2-a]imidazol-3-yl]methyl-(2-phenylethyl)-(2,2,2-trifluoroethyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens corticotropin releasing hormone receptor 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 Get druggable targets OG5_130760 All targets in OG5_130760
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative Get druggable targets OG5_130760 All targets in OG5_130760
Schistosoma japonicum IPR001879,Hormone receptor, extracellular,domain-containing Get druggable targets OG5_130760 All targets in OG5_130760
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130760 All targets in OG5_130760
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c corticotropin releasing hormone receptor 1 444 aa 445 aa 25.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi acetyltransferase, GNAT family protein 0.0143 0.4992 0.4992
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0933 0.0933
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4119 0.8251
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0203 0.0198
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0203 0.0198
Echinococcus multilocularis tar DNA binding protein 0.0125 0.4119 0.5032
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0042 0.0045 0.5
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4119 0.8251
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0064 0.1112 0.1112
Echinococcus granulosus potassium channel KvQLT family member kqt 1 0.0142 0.4936 0.616
Schistosoma mansoni voltage-gated potassium channel KCNQ 0.0142 0.4936 0.9889
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0143 0.4992 1
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.4119 0.4119
Brugia malayi TAR-binding protein 0.0125 0.4119 0.4119
Trichomonas vaginalis bromodomain-containing protein, putative 0.0042 0.0045 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0933 0.0933
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0042 0.0045 0.5
Loa Loa (eye worm) hypothetical protein 0.0064 0.1112 0.1112
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.4119 0.4119
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4119 0.8251
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0204 0.7985 1
Loa Loa (eye worm) RNA binding protein 0.0125 0.4119 0.4119
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0203 0.0203
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0203 0.0203
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0204 0.7985 1
Loa Loa (eye worm) TAR-binding protein 0.0125 0.4119 0.4119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0203 0.0406
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0143 0.4992 0.6154
Loa Loa (eye worm) acetyltransferase 0.0143 0.4992 0.4992
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0042 0.0045 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0203 0.0406
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0064 0.1112 0.1169
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4119 0.8251
Loa Loa (eye worm) hypothetical protein 0.0245 1 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.4119 0.8251
Echinococcus granulosus tar DNA binding protein 0.0125 0.4119 0.513
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0042 0.0045 0.5
Loa Loa (eye worm) voltage-gated potassium channel 0.014 0.4819 0.4819
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0203 0.0406
Echinococcus multilocularis potassium voltage gated channel subfamily KQT 0.0142 0.4936 0.6083
Loa Loa (eye worm) hypothetical protein 0.0064 0.1112 0.1112
Brugia malayi Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog 0.0142 0.4936 0.4936
Brugia malayi RNA binding protein 0.0125 0.4119 0.4119
Echinococcus granulosus histone acetyltransferase KAT2B 0.0139 0.4795 0.5982
Echinococcus granulosus potassium voltage gated channel subfamily KQT 0.0064 0.1112 0.1344

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antagonist activity at human CRF1 receptor expressed in human IMR-32 cells assessed as inhibition of CRF-stimulated cAMP production ChEMBL. 20471832
Ki (binding) = 350 nM Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins ChEMBL. 20471832

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

1 literature reference was collected for this gene.

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