Detailed information for compound 1407343

Basic information

Technical information
  • TDR Targets ID: 1407343
  • Name: N-[(4-phenylphenyl)methyl]cyclopropanamine hy drochloride
  • MW: 259.774 | Formula: C16H18ClN
  • H donors: 1 H acceptors: 0 LogP: 4.27 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)c1ccc(cc1)CNC1CC1.Cl
  • InChi: 1S/C16H17N.ClH/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)12-17-16-10-11-16;/h1-9,16-17H,10-12H2;1H
  • InChiKey: VGSAFFYCTFPTRR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • cyclopropyl-(4-phenylbenzyl)amine hydrochloride

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No 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
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis presenilin 0.0222 0.4065 0.4065
Echinococcus granulosus presenilin 0.0222 0.4065 0.4065
Loa Loa (eye worm) hypothetical protein 0.0108 0.1867 0.1867
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.0063 0.0988 0.1259
Brugia malayi Presenilin spe-4 0.0078 0.1279 0.1279
Brugia malayi gamma-secretase subunit pen-2 0.0208 0.3801 0.3801
Trypanosoma cruzi Aph-1 protein, putative 0.0206 0.376 0.9136
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0222 0.4065 1
Brugia malayi hypothetical protein 0.0078 0.1279 0.1279
Echinococcus granulosus nicalin 0.004 0.0545 0.0545
Echinococcus granulosus presenilin enhancer 2 0.0208 0.3801 0.3801
Brugia malayi hypothetical protein 0.0078 0.1279 0.1279
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.004 0.0547 0.0547
Brugia malayi hypothetical protein 0.0108 0.1867 0.1867
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0222 0.4065 0.4065
Brugia malayi Presenilin spe-4 0.0078 0.1279 0.1279
Brugia malayi Presenilin-like protein At2g29900 0.0078 0.1279 0.1279
Brugia malayi Presenilin family protein 0.0222 0.4065 0.4065
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0222 0.4065 1
Trypanosoma brucei Aph-1 protein, putative 0.0206 0.376 0.9136
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0222 0.4065 1
Brugia malayi hypothetical protein 0.0108 0.1867 0.1867
Schistosoma mansoni hypothetical protein 0.0108 0.1867 0.1867
Echinococcus multilocularis Nicastrin 0.0108 0.1867 0.1867
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0222 0.4065 1
Loa Loa (eye worm) presenilin spe-4 0.0078 0.1279 0.1279
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.0617 0.0617
Entamoeba histolytica presenilin 1 peptidase, putative 0.0222 0.4065 1
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0222 0.4065 1
Echinococcus multilocularis nicalin 0.004 0.0545 0.0545
Echinococcus multilocularis presenilin enhancer 2 0.0208 0.3801 0.3801
Loa Loa (eye worm) hypothetical protein 0.0035 0.0445 0.0445
Toxoplasma gondii hypothetical protein 0.0078 0.1279 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.004 0.0547 0.0547
Echinococcus granulosus potassium voltage gated channel subfamily H 0.004 0.0547 0.0547
Trichomonas vaginalis Nicastrin precursor, putative 0.0108 0.1867 0.3841
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.004 0.0547 0.0547
Echinococcus multilocularis Nicastrin 0.0108 0.1867 0.1867
Trypanosoma cruzi Aph-1 protein, putative 0.0206 0.376 0.9136
Brugia malayi Presenilin spe-4 0.0078 0.1279 0.1279
Trichomonas vaginalis Nicastrin precursor, putative 0.0108 0.1867 0.3841
Echinococcus granulosus Nicastrin 0.0108 0.1867 0.1867
Schistosoma mansoni voltage-gated potassium channel 0.0043 0.0617 0.0617
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0222 0.4065 1
Brugia malayi hypothetical protein 0.0078 0.1279 0.1279
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0222 0.4065 1
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0208 0.3801 0.3801

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 10.4179 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) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 25.1189 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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