Detailed information for compound 990566

Basic information

Technical information
  • TDR Targets ID: 990566
  • Name: N-(phenylmethyl)-N-[(4-phenylphenyl)methyl]im idazol-1-amine
  • MW: 339.433 | Formula: C23H21N3
  • H donors: 0 H acceptors: 1 LogP: 5.18 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)CN(n1ccnc1)Cc1ccc(cc1)c1ccccc1
  • InChi: 1S/C23H21N3/c1-3-7-20(8-4-1)17-26(25-16-15-24-19-25)18-21-11-13-23(14-12-21)22-9-5-2-6-10-22/h1-16,19H,17-18H2
  • InChiKey: PHOWNTQCWGWFEX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(phenylmethyl)-N-[(4-phenylphenyl)methyl]-1-imidazolamine
  • benzyl-imidazol-1-yl-(4-phenylbenzyl)amine
  • 1H-Imidazol-1-amine, N-([1,1'-biphenyl]-4-ylmethyl)-N-(phenylmethyl)-
  • AIDS-179909
  • AIDS179909

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 19, subfamily A, polypeptide 1 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma cruzi cytochrome P450, putative cytochrome P450, family 19, subfamily A, polypeptide 1 503 aa 425 aa 18.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi TAR-binding protein 0.0138 0.3469 0.3469
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0077 0.1518 1
Echinococcus multilocularis chromobox protein 1 0.0074 0.1439 0.1005
Echinococcus granulosus tar DNA binding protein 0.0138 0.3469 0.3137
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0028 0.0184
Leishmania major metacaspase, putative 0.0047 0.0585 0.1902
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.1518 1
Schistosoma mansoni tar DNA-binding protein 0.0138 0.3469 0.3962
Schistosoma mansoni caspase-3 (C14 family) 0.0124 0.3028 0.343
Brugia malayi Glycosyl hydrolases family 31 protein 0.0077 0.1518 0.1518
Trypanosoma brucei metacaspase 0.0047 0.0585 0.3853
Onchocerca volvulus 0.02 0.5404 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0126 0.3075 0.2724
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0047 0.0585 0.0585
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0185 0.4944 0.5738
Onchocerca volvulus 0.0033 0.0127 0.0236
Schistosoma mansoni tar DNA-binding protein 0.0138 0.3469 0.3962
Loa Loa (eye worm) hypothetical protein 0.0047 0.0585 0.0585
Schistosoma mansoni chromobox protein 0.0074 0.1439 0.1517
Echinococcus multilocularis geminin 0.0181 0.4819 0.4556
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0585 0.3853
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.1518 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.2918 0.2918
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.1537 0.1108
Trypanosoma brucei metacaspase MCA3 0.0047 0.0585 0.3853
Schistosoma mansoni aldehyde dehydrogenase 0.0126 0.3075 0.3488
Brugia malayi Cytochrome P450 family protein 0.003 0.0042 0.0042
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.3075 1
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0077 0.1518 0.3746
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.1537 0.3822
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0047 0.0585 0.3853
Echinococcus multilocularis peptidase Clp (S14 family) 0.0051 0.0697 0.0225
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.3075 1
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0585 0.3853
Echinococcus multilocularis chromobox protein 1 0.0074 0.1439 0.1005
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0411 0.076
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.1537 0.5
Schistosoma mansoni alpha-glucosidase 0.0297 0.8482 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0047 0.0585 0.3853
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0185 0.4944 0.4687
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.068 0.068
Echinococcus granulosus caspase 0.0124 0.3028 0.2674
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0585 0.3853
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0047 0.0585 0.3853
Echinococcus granulosus chromobox protein 1 0.0074 0.1439 0.1005
Loa Loa (eye worm) RNA binding protein 0.0138 0.3469 0.3469
Loa Loa (eye worm) hypothetical protein 0.0121 0.2918 0.2918
Echinococcus granulosus caspase 3 0.0077 0.1542 0.1113
Brugia malayi Cell death protein 3 precursor 0.0091 0.1969 0.1969
Echinococcus multilocularis caspase 8 0.0047 0.0585 0.0107
Toxoplasma gondii aldehyde dehydrogenase 0.0126 0.3075 1
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.1537 0.3822
Echinococcus multilocularis caspase 0.0124 0.3028 0.2674
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0047 0.0585 0.3853
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.1537 0.1635
Echinococcus granulosus chromobox protein 1 0.0074 0.1439 0.1005
Trypanosoma cruzi metacaspase, putative 0.0047 0.0585 0.3853
Loa Loa (eye worm) TAR-binding protein 0.0138 0.3469 0.3469
Trichomonas vaginalis sucrase-isomaltase, putative 0.0077 0.1518 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.1537 0.5
Loa Loa (eye worm) hypothetical protein 0.0044 0.0483 0.0483
Schistosoma mansoni caspase-7 (C14 family) 0.0124 0.3028 0.343
Loa Loa (eye worm) hypothetical protein 0.0033 0.0127 0.0127
Loa Loa (eye worm) hypothetical protein 0.0077 0.1537 0.1537
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0126 0.3075 0.2724
Brugia malayi Probable ClpP-like protease 0.0077 0.1537 0.1537
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0047 0.0585 0.3853
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0042 0.0042
Schistosoma mansoni tar DNA-binding protein 0.0138 0.3469 0.3962
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0185 0.4944 0.4687
Trichomonas vaginalis chromobox protein, putative 0.0045 0.051 0.3363
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0047 0.0585 0.3853
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.1537 0.5
Brugia malayi hypothetical protein 0.0121 0.2918 0.2918
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0126 0.3075 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0077 0.1518 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0077 0.1518 1
Schistosoma mansoni tar DNA-binding protein 0.0138 0.3469 0.3962
Brugia malayi hypothetical protein 0.0152 0.389 0.389
Trypanosoma cruzi metacaspase, putative 0.0047 0.0585 0.3853
Echinococcus granulosus lysosomal alpha glucosidase 0.0345 1 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.1518 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0077 0.1518 1
Brugia malayi chromobox protein homolog 3 0.0042 0.0411 0.0411
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0185 0.4944 0.4944
Onchocerca volvulus 0.0044 0.0483 0.0894
Schistosoma mansoni hypothetical protein 0.0044 0.0483 0.0365
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0047 0.0585 0.3853
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1439 0.9481
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0585 0.3853
Loa Loa (eye worm) hypothetical protein 0.0152 0.389 0.389
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.018 0.018
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.1537 0.1108
Echinococcus multilocularis lysosomal alpha glucosidase 0.0345 1 1
Schistosoma mansoni caspase-7 (C14 family) 0.0091 0.1969 0.2155
Brugia malayi Heterochromatin protein 1 0.0074 0.1439 0.1439
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.1537 1
Onchocerca volvulus 0.0152 0.389 0.7199
Echinococcus granulosus caspase 8 0.0047 0.0585 0.0107
Trypanosoma brucei glucosidase, putative 0.0077 0.1518 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0185 0.4944 0.4944
Trichomonas vaginalis chromobox protein, putative 0.0074 0.1439 0.9481
Mycobacterium ulcerans aldehyde dehydrogenase 0.0126 0.3075 1
Trichomonas vaginalis chromobox protein, putative 0.0045 0.051 0.3363
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0138 0.3469 0.3469
Echinococcus multilocularis tar DNA binding protein 0.0138 0.3469 0.3137
Onchocerca volvulus Huntingtin homolog 0.0121 0.2918 0.54
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0585 0.3853
Echinococcus granulosus caspase 2 0.0091 0.1969 0.1561
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0585 0.3853
Trypanosoma cruzi metacaspase 5, putative 0.0047 0.0585 0.3853
Schistosoma mansoni hypothetical protein 0.0181 0.4819 0.5588
Schistosoma mansoni chromobox protein 0.0074 0.1439 0.1517
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0185 0.4944 0.5738
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0185 0.4944 0.5738
Schistosoma mansoni alpha glucosidase 0.0077 0.1518 0.1612
Schistosoma mansoni aldehyde dehydrogenase 0.0126 0.3075 0.3488
Loa Loa (eye worm) hypothetical protein 0.0091 0.1969 0.1969
Loa Loa (eye worm) hypothetical protein 0.0034 0.018 0.018
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.1518 1
Trypanosoma brucei metacaspase MCA2 0.0047 0.0585 0.3853
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0047 0.0585 0.0488
Trypanosoma cruzi metacaspase, putative 0.0047 0.0585 0.3853
Leishmania major alpha glucosidase II subunit, putative 0.0077 0.1518 0.4936
Trypanosoma brucei Metacaspase-4 0.0047 0.0585 0.3853
Echinococcus multilocularis lysosomal alpha glucosidase 0.0345 1 1
Onchocerca volvulus Huntingtin homolog 0.0121 0.2918 0.54
Trypanosoma brucei metacaspase 5, putative 0.0047 0.0585 0.3853
Echinococcus granulosus neutral alpha glucosidase AB 0.0077 0.1518 0.1088
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0345 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0411 0.2707
Schistosoma mansoni tar DNA-binding protein 0.0138 0.3469 0.3962
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.1537 1
Brugia malayi hypothetical protein 0.0044 0.0483 0.0483
Brugia malayi RNA recognition motif domain containing protein 0.0138 0.3469 0.3469
Echinococcus multilocularis caspase 2 0.0091 0.1969 0.1561
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0047 0.0585 0.3853
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0028 0.0184
Echinococcus multilocularis neutral alpha glucosidase AB 0.0077 0.1518 0.1088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0185 0.4944 0.4687
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.1518 1
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0124 0.3028 0.2674
Trypanosoma cruzi metacaspase, putative 0.0047 0.0585 0.3853
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0126 0.3075 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.068 0.068
Schistosoma mansoni alpha-glucosidase 0.0297 0.8482 1
Loa Loa (eye worm) hypothetical protein 0.005 0.068 0.068
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0185 0.4944 0.4687
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.1537 0.5
Echinococcus granulosus geminin 0.0181 0.4819 0.4556
Brugia malayi RNA binding protein 0.0138 0.3469 0.3469
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.1537 1
Echinococcus granulosus peptidase Clp S14 family 0.0051 0.0697 0.0225
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0077 0.1518 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0077 0.1518 0.1518
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0124 0.3028 0.2674
Trypanosoma cruzi metacaspase 5, putative 0.0047 0.0585 0.3853
Loa Loa (eye worm) hypothetical protein 0.0042 0.0411 0.0411
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.1518 1
Loa Loa (eye worm) heterochromatin protein 1 0.0074 0.1439 0.1439
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.068 0.068
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.1518 1
Echinococcus multilocularis caspase 3 0.0077 0.1542 0.1113
Onchocerca volvulus Cell death protein 3 homolog 0.0091 0.1969 0.3643
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0411 0.2707
Schistosoma mansoni hypothetical protein 0.0181 0.4819 0.5588
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.051 0.0945
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0047 0.0585 0.3853

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) Inhibition of human CYP17 expressed in Escherichia coli coexpressing NADPH reductase at 2 uM ChEMBL. 18782670
IC50 (binding) = 1.2 uM Inhibition of human aromatase ChEMBL. 18782670

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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