Detailed information for compound 1650655

Basic information

Technical information
  • TDR Targets ID: 1650655
  • Name: 3-phenyl-1-[[3-(trifluoromethyl)phenyl]amino] pyrido[1,2-a]benzimidazole-4-carbonitrile
  • MW: 428.409 | Formula: C25H15F3N4
  • H donors: 1 H acceptors: 2 LogP: 7.29 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(cc(n2c1nc1c2cccc1)Nc1cccc(c1)C(F)(F)F)c1ccccc1
  • InChi: 1S/C25H15F3N4/c26-25(27,28)17-9-6-10-18(13-17)30-23-14-19(16-7-2-1-3-8-16)20(15-29)24-31-21-11-4-5-12-22(21)32(23)24/h1-14,30H
  • InChiKey: FIHHQRUFLJZGCH-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-phenyl-1-[[3-(trifluoromethyl)phenyl]amino]-4-pyrido[1,2-a]benzimidazolecarbonitrile
  • NCI60_035839
  • AO-476/14976025
  • NSC699946

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
Loa Loa (eye worm) Notch2 0.0162 0.26 0.258
Schistosoma mansoni hypothetical protein 0.0024 0.0251 0.0251
Loa Loa (eye worm) hypothetical protein 0.0016 0.0107 0.008
Loa Loa (eye worm) hypothetical protein 0.0026 0.0274 0.0247
Loa Loa (eye worm) hypothetical protein 0.0016 0.0107 0.008
Loa Loa (eye worm) hypothetical protein 0.0026 0.0274 0.0247
Echinococcus multilocularis slit 2 protein 0.0014 0.0079 0.0079
Toxoplasma gondii notch (dsl) domain-containing protein 0.0024 0.0251 1
Schistosoma mansoni notch 0.0104 0.1615 0.1615
Toxoplasma gondii microneme protein MIC12 0.0019 0.0161 0.5983
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0018 0.014 0.0113
Echinococcus multilocularis neurogenic locus protein delta 0.0014 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0024 0.0241 0.0214
Echinococcus multilocularis neurogenic locus notch protein 0.0258 0.4236 0.4236
Loa Loa (eye worm) hypothetical protein 0.0014 0.0079 0.0052
Loa Loa (eye worm) transmembrane cell adhesion receptor mua-3 0.0019 0.0161 0.0134
Brugia malayi Calcium binding EGF domain containing protein 0.0026 0.0274 0.0247
Schistosoma mansoni notch 0.0014 0.0079 0.0079
Echinococcus granulosus notch 0.0031 0.0364 0.0364
Loa Loa (eye worm) hypothetical protein 0.0024 0.0251 0.0224
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0042 0.0558 0.1152
Loa Loa (eye worm) hypothetical protein 0.0014 0.0079 0.0052
Schistosoma mansoni notch 0.0031 0.0364 0.0364
Loa Loa (eye worm) hypothetical protein 0.0248 0.4069 0.4053
Echinococcus multilocularis neurogenic locus notch protein 4 0.0016 0.0107 0.0107
Brugia malayi EGF-like domain containing protein 0.0024 0.0251 0.0224
Echinococcus multilocularis notch 0.0031 0.0364 0.0364
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0596 1 1
Echinococcus granulosus neurogenic locus notch protein 0.0258 0.4236 0.4236
Brugia malayi notch-like transmembrane receptor 0.0248 0.4069 0.4053
Schistosoma mansoni enhancer of zeste ezh 0.0596 1 1
Toxoplasma gondii sushi domain (scr repeat) domain-containing protein 0.0024 0.0251 1
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0596 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.014 0.0113
Echinococcus granulosus neurogenic locus notch protein 4 0.0016 0.0107 0.0107
Brugia malayi Calcium binding EGF domain containing protein 0.0026 0.0274 0.0247
Toxoplasma gondii sushi domain (scr repeat) domain-containing protein 0.0024 0.0251 1
Echinococcus granulosus slit 2 protein 0.0014 0.0079 0.0079
Onchocerca volvulus 0.0024 0.0251 0.0413
Loa Loa (eye worm) SET domain-containing protein 0.0596 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0107 0.008
Onchocerca volvulus 0.0018 0.014 0.0146
Brugia malayi EGF-like domain containing protein 0.0014 0.0079 0.0052
Onchocerca volvulus 0.0024 0.0251 0.0413
Loa Loa (eye worm) hypothetical protein 0.0018 0.014 0.0113
Echinococcus granulosus neurogenic locus protein delta 0.0014 0.0079 0.0079
Onchocerca volvulus Neurogenic locus notch homolog 0.0258 0.4236 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0079 0.0052
Loa Loa (eye worm) hypothetical protein 0.0018 0.014 0.0113
Loa Loa (eye worm) notch protein 0.0026 0.0274 0.0247
Schistosoma mansoni slit 0.0014 0.0079 0.0079
Brugia malayi EGF-like domain containing protein 0.0136 0.2161 0.2139
Onchocerca volvulus Neurogenic locus notch homolog 0.0024 0.0251 0.0413

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -6.686 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.474 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.285 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -6.261 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.895 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.853 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.726 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.653 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -5.394 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) 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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