Detailed information for compound 70141

Basic information

Technical information
  • TDR Targets ID: 70141
  • Name: 23580-89-4
  • MW: 149.233 | Formula: C10H15N
  • H donors: 1 H acceptors: 0 LogP: 2.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNCCCc1ccccc1
  • InChi: 1S/C10H15N/c1-11-9-5-8-10-6-3-2-4-7-10/h2-4,6-7,11H,5,8-9H2,1H3
  • InChiKey: MLHBZVFOTDJTPK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3AMA-0-0
  • BAS 09614940
  • methyl(3-phenylpropyl)amine
  • methyl-(3-phenylpropyl)amine
  • N-methyl-3-phenylpropan-1-amine
  • N-methyl-3-phenyl-propan-1-amine
  • N-methyl-3-phenyl-1-propanamine
  • SBB010169

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
Echinococcus granulosus sentrin specific protease 8 0.0094 0.075 0.0716
Echinococcus granulosus Niemann Pick C1 protein 0.01 0.0829 0.0795
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0102 0.0848 0.1005
Loa Loa (eye worm) Ulp1 protease 0.0094 0.075 0.1464
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0039 0.0071 0.5
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0094 0.075 0.4209
Mycobacterium leprae Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0494 0.5738 1
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Plasmodium falciparum sentrin-specific protease 1 0.0039 0.0071 0.5
Onchocerca volvulus Glucosylceramidase homolog 0.0172 0.1729 1
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0139
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.2856 1
Schistosoma mansoni lipoxygenase 0.0126 0.1146 0.1363
Echinococcus granulosus expressed conserved protein 0.0094 0.0753 0.0719
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0094 0.075 0.0886
Schistosoma mansoni caspase-3 (C14 family) 0.0101 0.0839 0.0994
Toxoplasma gondii pantoate-beta-alanine ligase 0.0494 0.5738 1
Mycobacterium ulcerans pantoate--beta-alanine ligase 0.0494 0.5738 0.6212
Echinococcus multilocularis caspase 3 0.0074 0.0503 0.0469
Loa Loa (eye worm) hypothetical protein 0.0053 0.0237 0.0462
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.2856 1
Mycobacterium ulcerans bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase 0.0775 0.9237 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0094 0.075 0.2437
Loa Loa (eye worm) hypothetical protein 0.0051 0.0212 0.0415
Loa Loa (eye worm) hypothetical protein 0.0035 0.0012 0.0024
Loa Loa (eye worm) hypothetical protein 0.0039 0.0071 0.0139
Echinococcus multilocularis protein dispatched 1 0.0049 0.0192 0.0156
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.2856 1
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Echinococcus granulosus caspase 3 0.0074 0.0503 0.0468
Giardia lamblia Sentrin specific protease, putative 0.0039 0.0071 0.5
Schistosoma mansoni lipoxygenase 0.0088 0.0675 0.0796
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0212 0.0415
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0212 0.0415
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0094 0.075 0.2437
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Schistosoma mansoni caspase-7 (C14 family) 0.0101 0.0839 0.0994
Loa Loa (eye worm) hypothetical protein 0.0039 0.0071 0.0139
Leishmania major C-8 sterol isomerase-like protein 0.0445 0.5121 1
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0177 0.1781 0.2126
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0039 0.0071 0.007
Loa Loa (eye worm) hypothetical protein 0.0043 0.0116 0.0227
Trichomonas vaginalis Sentrin-specific protease, putative 0.0094 0.075 0.2437
Loa Loa (eye worm) hypothetical protein 0.0039 0.0071 0.0139
Echinococcus multilocularis sentrin specific protease 7 0.0177 0.1781 0.1757
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0012 0.0024
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0039 0.0071 0.007
Schistosoma mansoni hypothetical protein 0.0041 0.0097 0.0101
Echinococcus multilocularis microtubule associated protein 2 0.0702 0.8332 0.8356
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0116 0.008
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0036 0.0029
Echinococcus granulosus Niemann Pick C1 protein 0.0143 0.1365 0.1333
Echinococcus granulosus caspase 0.0101 0.0839 0.0806
Echinococcus multilocularis expressed conserved protein 0.0094 0.0753 0.0722
Plasmodium vivax sentrin-specific protease 2, putative 0.0039 0.0071 0.5
Loa Loa (eye worm) Ulp1 protease 0.0039 0.0071 0.0139
Entamoeba histolytica hypothetical protein 0.0037 0.0036 0.0205
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0126 0.1146 0.1118
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0101 0.0839 0.0806
Schistosoma mansoni patched 1 0.0043 0.0116 0.0125
Echinococcus multilocularis caspase 0.0101 0.0839 0.0809
Trypanosoma brucei C-8 sterol isomerase, putative 0.0445 0.5121 1
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.2856 1
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0139
Echinococcus granulosus sentrin specific protease 1 0.0039 0.0071 0.0035
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0116 0.008
Trypanosoma cruzi hypothetical protein 0.0094 0.075 0.1344
Echinococcus granulosus expressed conserved protein 0.0137 0.129 0.1258
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0116 0.008
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0039 0.0071 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.0097 0.0101
Mycobacterium tuberculosis Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme) 0.0494 0.5738 0.6212
Loa Loa (eye worm) hypothetical protein 0.0445 0.5121 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0399
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.2856 1
Schistosoma mansoni hypothetical protein 0.0041 0.0097 0.0101
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0126 0.1146 0.1114
Entamoeba histolytica hypothetical protein 0.0037 0.0036 0.0205
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Echinococcus multilocularis Niemann Pick C1 protein 0.01 0.0829 0.0798
Echinococcus multilocularis conserved hypothetical protein 0.0833 0.9964 1
Leishmania major SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative 0.0039 0.0071 0.0139
Schistosoma mansoni microtubule-associated protein tau 0.0702 0.8332 1
Entamoeba histolytica hypothetical protein 0.0037 0.0036 0.0205
Loa Loa (eye worm) hypothetical protein 0.01 0.0829 0.1618
Brugia malayi hypothetical protein 0.0037 0.0036 0.0071
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0775 0.9237 1
Brugia malayi CHE-14 protein 0.0043 0.0116 0.0227
Onchocerca volvulus 0.0039 0.0071 0.0411
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0116 0.0227
Echinococcus multilocularis protein patched 0.0043 0.0116 0.008
Echinococcus granulosus microtubule associated protein 2 0.0702 0.8332 0.8326
Echinococcus multilocularis Niemann Pick C1 protein 0.0143 0.1365 0.1338
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0101 0.0839 0.0809
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0263 0.2856 0.5576
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.1845 0.6371
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0399
Schistosoma mansoni hypothetical protein 0.0041 0.0097 0.0101
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0094 0.075 0.2437
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0825 0.9865 0.99
Schistosoma mansoni hypothetical protein 0.0037 0.0036 0.0029
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0094 0.075 0.1464
Echinococcus granulosus sentrin specific protease 7 0.0177 0.1781 0.1751
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0399
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0139
Echinococcus multilocularis sentrin specific protease 8 0.0094 0.075 0.0718
Trichomonas vaginalis glucosylceramidase, putative 0.0263 0.2856 1
Plasmodium vivax sentrin-specific protease 1, putative 0.0039 0.0071 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0182 0.1845 0.6371
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0212 0.0415
Brugia malayi Niemann-Pick C1 protein precursor 0.01 0.0829 0.1618
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0116 0.0162
Echinococcus multilocularis sentrin specific protease 1 0.0039 0.0071 0.0035
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0263 0.2856 0.5576
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.01 0.0829 0.4654
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0177 0.1781 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.2412 0.471
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.1729 0.5955
Entamoeba histolytica hypothetical protein 0.0037 0.0036 0.0205
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0445 0.5121 1
Echinococcus multilocularis expressed conserved protein 0.0137 0.129 0.1263
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0445 0.5121 1
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0039 0.0071 0.0399

Activities

Activity type Activity value Assay description Source Reference
k cat (binding) min-1 Catalysis activity was calculated for Monoamine oxidase-B from Bovine liver; Not determined ChEMBL. 8510099
k cat (binding) 0 min-1 Catalysis activity was calculated for Monoamine oxidase-B from Bovine liver; Not determined ChEMBL. 8510099
Km (binding) Michaelis-Menten constant was determined for Monoamine oxidase-B from Bovine liver; Not determined ChEMBL. 8510099
Km (binding) 0 Michaelis-Menten constant was determined for Monoamine oxidase-B from Bovine liver; Not determined ChEMBL. 8510099

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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