Detailed information for compound 1450752

Basic information

Technical information
  • TDR Targets ID: 1450752
  • Name: 2,3,5-tri(phenyl)pyrrolidine
  • MW: 299.409 | Formula: C22H21N
  • H donors: 1 H acceptors: 0 LogP: 4.73 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)C1CC(C(N1)c1ccccc1)c1ccccc1
  • InChi: 1S/C22H21N/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-15,20-23H,16H2
  • InChiKey: GUWDVBGTMKIQDY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • MLS001207797
  • 2,3,5-Triphenyl-pyrrolidine
  • BAS 00525380
  • SMR000514503
  • Oprea1_293333
  • Oprea1_404803

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
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 glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0161 0.3192 0.4889
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1242 0.8483
Schistosoma mansoni topbp1 0.0011 0.0119 0.0119
Schistosoma mansoni hypothetical protein 0.0494 1 1
Brugia malayi Pax transcription activation domain interacting protein 0.0011 0.0119 0.0167
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0011 0.0011
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0008 0.006 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0119 1
Schistosoma mansoni neuropeptide receptor 0.0005 0.0011 0.0011
Trichomonas vaginalis replication factor C large subunit, putative 0.0011 0.0119 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0051 0.094 0.0931
Loa Loa (eye worm) MH1 domain-containing protein 0.0008 0.006 0.0076
Schistosoma mansoni topbp1 0.0011 0.0119 0.0119
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0005 0.0011 0.0011
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.2269 0.3471
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0119 1
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0011 0.0119 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0051 0.094 0.0931
Schistosoma mansoni biogenic amine receptor 0.0005 0.0011 0.0011
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.1443 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.006 0.006
Schistosoma mansoni amine GPCR 0.0005 0.0011 0.0011
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0226 0.0216
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0226 0.0807
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0591 0.0581
Loa Loa (eye worm) MH2 domain-containing protein 0.0008 0.006 0.0076
Loa Loa (eye worm) Smad1 0.0008 0.006 0.0076
Schistosoma mansoni Smad4 0.0008 0.006 0.006
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0005 0.0011 0.0011
Schistosoma mansoni smad 0.0008 0.006 0.006
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0005 0.0011 0.0011
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0115 0.016
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.0119 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0005 0.0011 0.0011
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.1443 1
Schistosoma mansoni DNA ligase IV 0.0011 0.0119 0.0119
Schistosoma mansoni neuropeptide F-like receptor 0.0005 0.0011 0.0011
Chlamydia trachomatis DNA ligase 0.0011 0.0119 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0076 0.1443 1
Schistosoma mansoni neuropeptide receptor 0.0005 0.0011 0.0011
Echinococcus granulosus nibrin 0.0011 0.0119 0.0109
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0226 0.0216
Schistosoma mansoni biogenic amine (5HT) receptor 0.0005 0.0011 0.0011
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0011 0.0011
Schistosoma mansoni opsin-like receptor 0.0005 0.0011 0.0011
Brugia malayi isocitrate dehydrogenase 0.0016 0.0226 0.0331
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0074 0.0064
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0005 0.0011 0.0011
Schistosoma mansoni tar DNA-binding protein 0.0324 0.6518 0.6518
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0226 0.0216
Echinococcus multilocularis cpg binding protein 0.0037 0.0648 0.0638
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0119 1
Schistosoma mansoni chromosome transmission fidelity factor 0.0011 0.0119 0.0119
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0005 0.0011 0.0011
Schistosoma mansoni amine GPCR 0.0005 0.0011 0.0011
Schistosoma mansoni adenoreceptor 0.0005 0.0011 0.0011
Schistosoma mansoni biogenic amine receptor 0.0005 0.0011 0.0011
Brugia malayi Calcitonin receptor-like protein seb-1 0.0161 0.3192 0.4889
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0005 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0051 0.094 0.094
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.1443 1
Schistosoma mansoni smad1 5 8 and 0.0008 0.006 0.006
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0074 0.0064
Brugia malayi hypothetical protein 0.0011 0.0119 0.0167
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0074 0.0064
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0074 0.0074
Schistosoma mansoni cpg binding protein 0.0035 0.0608 0.0608
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0226 0.0807
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0016 0.0226 0.0807
Schistosoma mansoni hypothetical protein 0.0034 0.0591 0.0591
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0016 0.0226 0.0807
Schistosoma mansoni tar DNA-binding protein 0.0324 0.6518 0.6518
Trypanosoma brucei PAB1-binding protein , putative 0.0076 0.1443 1
Brugia malayi hypothetical protein 0.0011 0.0119 0.0167
Schistosoma mansoni hypothetical protein 0.0051 0.094 0.094
Schistosoma mansoni amine GPCR 0.0005 0.0011 0.0011
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0011 0.0011
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0161 0.3192 0.4889
Brugia malayi TAR-binding protein 0.0324 0.6518 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1403 0.1403
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0011 0.0119 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.1443 1
Schistosoma mansoni neuropeptide receptor 0.0005 0.0011 0.0011
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0011 0.0011
Echinococcus granulosus smad 0.0008 0.006 0.0049
Schistosoma mansoni neuropeptide f receptor 76f 0.0005 0.0011 0.0011
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0005 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0011 0.0119 0.0167
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0107
Loa Loa (eye worm) hypothetical protein 0.0011 0.0119 0.0167
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0011 0.0011
Brugia malayi MH1 domain containing protein 0.0008 0.006 0.0076
Giardia lamblia Replication factor C, subunit 1 0.0011 0.0119 0.5
Loa Loa (eye worm) TAR-binding protein 0.0324 0.6518 1
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0016 0.0226 0.0807
Schistosoma mansoni hypothetical protein 0.0005 0.0011 0.0011
Schistosoma mansoni cpg binding protein 0.0037 0.0648 0.0648
Schistosoma mansoni hypothetical protein 0.0051 0.094 0.094
Schistosoma mansoni tar DNA-binding protein 0.0324 0.6518 0.6518
Schistosoma mansoni smad1 5 8 and 0.0008 0.006 0.006
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0011 0.0011
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0005 0.0011 0.0011
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0226 0.0216
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0119 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0005 0.0011 0.0011
Echinococcus granulosus tar DNA binding protein 0.0324 0.6518 0.6514
Loa Loa (eye worm) hypothetical protein 0.0076 0.1443 0.2201
Schistosoma mansoni growth hormone secretagogue receptor 0.0005 0.0011 0.0011
Brugia malayi latrophilin 2 splice variant baaae 0.011 0.215 0.3288
Loa Loa (eye worm) hypothetical protein 0.011 0.215 0.3288
Schistosoma mansoni neuropeptide receptor 0.0005 0.0011 0.0011
Echinococcus granulosus cpg binding protein 0.0037 0.0648 0.0638
Schistosoma mansoni hypothetical protein 0.0005 0.0011 0.0011
Schistosoma mansoni amine GPCR 0.0005 0.0011 0.0011
Brugia malayi CXXC zinc finger family protein 0.0035 0.0608 0.0917
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0008 0.006 0.006
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0011 0.0119 0.5
Entamoeba histolytica hypothetical protein 0.0011 0.0119 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0011 0.0119 1
Brugia malayi hypothetical protein 0.0076 0.1443 0.2201
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0051 0.094 0.0931
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0074 0.0064
Echinococcus multilocularis Smad4 0.0008 0.006 0.0049
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0016 0.0226 0.5
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0591 0.0581
Schistosoma mansoni myosin xvIII 0.0005 0.0011 0.0011
Treponema pallidum DNA ligase (lig) 0.0011 0.0119 0.5
Schistosoma mansoni opsin-like receptor 0.0005 0.0011 0.0011
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0118 0.0165
Brugia malayi Smad1 0.0008 0.006 0.0076
Echinococcus multilocularis mothers against decapentaplegic 5 0.0008 0.006 0.0049
Loa Loa (eye worm) hypothetical protein 0.0011 0.0119 0.0167
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0226 0.0331
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0005 0.0011 0.0011
Brugia malayi DKFZp564C0469 protein 0.0011 0.0119 0.0167
Echinococcus multilocularis nibrin 0.0011 0.0119 0.0109
Schistosoma mansoni amine GPCR 0.0005 0.0011 0.0011
Brugia malayi MH2 domain containing protein 0.0008 0.006 0.0076
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0005 0.0011 0.0011
Schistosoma mansoni alpha-1 adrenergic receptor 0.0005 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0051 0.094 0.1429
Brugia malayi RNA recognition motif domain containing protein 0.0324 0.6518 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0011 0.0119 1
Leishmania major hypothetical protein, conserved 0.0076 0.1443 1
Echinococcus granulosus Smad4 0.0008 0.006 0.0049
Brugia malayi topoisomerase 0.0011 0.0119 0.0167
Schistosoma mansoni neuropeptide F-like receptor 0.0005 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0051 0.094 0.094
Brugia malayi RNA binding protein 0.0324 0.6518 1
Echinococcus multilocularis tar DNA binding protein 0.0324 0.6518 0.6514
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0107
Loa Loa (eye worm) hypothetical protein 0.0011 0.0119 0.0167
Toxoplasma gondii isocitrate dehydrogenase 0.0016 0.0226 0.0807
Loa Loa (eye worm) latrophilin receptor protein 2 0.0051 0.094 0.1429
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0016 0.0226 0.0807
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0011 0.0119 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0119 0.0167
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0226 0.0216
Echinococcus multilocularis GPCR, family 2 0.0051 0.094 0.0931
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0005 0.0011 0.0011
Schistosoma mansoni tar DNA-binding protein 0.0324 0.6518 0.6518
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0226 0.0216
Onchocerca volvulus 0.0035 0.0608 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0051 0.094 0.0931
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0226 0.0331
Echinococcus multilocularis smad 0.0008 0.006 0.0049
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0324 0.6518 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0011 0.0011
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0011 0.0011
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0011 0.0119 0.0167
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0011 0.0119 0.5
Brugia malayi MH2 domain containing protein 0.0116 0.2269 0.3471
Echinococcus multilocularis replication factor c subunit 1 0.0011 0.0119 0.0109
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0051 0.094 0.1429
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0011 0.0119 0.5
Brugia malayi hypothetical protein 0.0049 0.0895 0.136
Schistosoma mansoni opsin-like receptor 0.0005 0.0011 0.0011
Plasmodium vivax ataxin-2 like protein, putative 0.0076 0.1443 1
Schistosoma mansoni hypothetical protein 0.011 0.215 0.215
Schistosoma mansoni histamine h1 receptor 0.0005 0.0011 0.0011
Onchocerca volvulus 0.0011 0.0119 0.1824
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0016 0.0226 0.0807
Schistosoma mansoni hypothetical protein 0.0005 0.0011 0.0011
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0161 0.3192 0.4889
Schistosoma mansoni hypothetical protein 0.0005 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0011 0.0119 0.0167
Loa Loa (eye worm) RNA binding protein 0.0324 0.6518 1
Brugia malayi MH1 domain containing protein 0.0008 0.006 0.0076
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0226 0.0226
Echinococcus granulosus TGF beta signal transducer SmadC 0.0008 0.006 0.0049
Brugia malayi Latrophilin receptor protein 2 0.0051 0.094 0.1429
Brugia malayi MH2 domain containing protein 0.0008 0.006 0.0076
Schistosoma mansoni biogenic amine (5HT) receptor 0.0005 0.0011 0.0011
Schistosoma mansoni biogenic amine receptor 0.0005 0.0011 0.0011
Echinococcus granulosus mothers against decapentaplegic 5 0.0008 0.006 0.0049
Echinococcus granulosus GPCR family 2 0.0051 0.094 0.0931
Echinococcus granulosus replication factor c subunit 1 0.0011 0.0119 0.0109
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0005 0.0011 0.0011
Echinococcus multilocularis dnaJ subfamily B 0.0494 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0608 0.0917
Schistosoma mansoni tar DNA-binding protein 0.0324 0.6518 0.6518
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.2269 0.3471
Schistosoma mansoni cpg binding protein 0.0037 0.0648 0.0648

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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