Detailed information for compound 1167022

Basic information

Technical information
  • TDR Targets ID: 1167022
  • Name: 2-methyl-1-(pyren-1-ylmethylamino)propan-2-ol
  • MW: 303.398 | Formula: C21H21NO
  • H donors: 2 H acceptors: 1 LogP: 4.33 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CNCc1ccc2c3c1ccc1c3c(cc2)ccc1)(O)C
  • InChi: 1S/C21H21NO/c1-21(2,23)13-22-12-17-9-8-16-7-6-14-4-3-5-15-10-11-18(17)20(16)19(14)15/h3-11,22-23H,12-13H2,1-2H3
  • InChiKey: IZYVOVVQOXRYTA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methyl-1-(1-pyrenylmethylamino)propan-2-ol

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
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0809 0.5124 0.6018
Echinococcus granulosus geminin 0.0179 0.0717 0.0717
Plasmodium vivax hypothetical protein, conserved 0.0467 0.2735 0.3111
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.1276 0.8395 1
Plasmodium falciparum MO15-related protein kinase 0.0246 0.1183 0.1223
Schistosoma mansoni hypothetical protein 0.0179 0.0717 0.0717
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0102 0.0179 0.0179
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.1276 0.8395 1
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0809 0.5124 0.5124
Echinococcus multilocularis thymidylate synthase 0.0314 0.166 0.166
Loa Loa (eye worm) cyclin domain-containing protein 0.0144 0.0472 0.0563
Trypanosoma cruzi hypothetical protein, conserved 0.0467 0.2735 0.3111
Brugia malayi Cyclin, N-terminal domain containing protein 0.0144 0.0472 0.0563
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0149 0.0509 0.0401
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0809 0.5124 1
Leishmania major C-8 sterol isomerase-like protein 0.0362 0.1996 0.2212
Echinococcus multilocularis xaa Pro dipeptidase 0.0102 0.0179 0.0179
Toxoplasma gondii methionine aminopeptidase 0.0809 0.5124 0.6018
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.1276 0.8395 1
Schistosoma mansoni serine/threonine protein kinase 0.0083 0.0042 0.0042
Entamoeba histolytica hypothetical protein, conserved 0.0102 0.0179 0.5
Echinococcus multilocularis FACT complex subunit SPT16 0.0102 0.0179 0.0179
Echinococcus multilocularis xaa pro aminopeptidase 0.0102 0.0179 0.0179
Echinococcus granulosus methionyl aminopeptidase 2 0.0102 0.0179 0.0179
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0809 0.5124 0.6018
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0809 0.5124 1
Echinococcus multilocularis geminin 0.0179 0.0717 0.0717
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0809 0.5124 1
Schistosoma mansoni proliferation-associated protein 2G4 38kDa (M24 family) 0.0102 0.0179 0.0179
Trypanosoma cruzi hypothetical protein, conserved 0.0467 0.2735 0.3111
Echinococcus multilocularis Proliferation associated protein 2G4 0.0102 0.0179 0.0179
Loa Loa (eye worm) hypothetical protein 0.0362 0.1996 0.2377
Echinococcus granulosus xaa Pro dipeptidase 0.0102 0.0179 0.0179
Echinococcus granulosus xaa Pro dipeptidase 0.0102 0.0179 0.0179
Brugia malayi hypothetical protein 0.0149 0.0509 0.0606
Schistosoma mansoni hypothetical protein 0.0179 0.0717 0.0717
Loa Loa (eye worm) hypothetical protein 0.0185 0.0758 0.0903
Echinococcus granulosus xaa pro aminopeptidase 0.0102 0.0179 0.0179
Trypanosoma brucei hypothetical protein, conserved 0.0467 0.2735 0.3111
Loa Loa (eye worm) hypothetical protein 0.0102 0.0179 0.0213
Plasmodium vivax methionine aminopeptidase 1b, putative 0.1276 0.8395 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0314 0.166 0.1802
Echinococcus granulosus thymidylate synthase 0.0314 0.166 0.166
Echinococcus granulosus methionine aminopeptidase type I 0.0102 0.0179 0.0179
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0314 0.166 0.2995
Loa Loa (eye worm) DNA-binding protein 0.0102 0.0179 0.0213
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0809 0.5124 0.6018
Loa Loa (eye worm) hypothetical protein 0.0102 0.0179 0.0213
Entamoeba histolytica peptidase, putative 0.0102 0.0179 0.5
Trypanosoma brucei methionine aminopeptidase, putative 0.1276 0.8395 1
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0314 0.166 0.1802
Echinococcus multilocularis xaa Pro dipeptidase 0.0102 0.0179 0.0179
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0314 0.166 0.166
Echinococcus granulosus FACT complex subunit SPT16 0.0102 0.0179 0.0179
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0809 0.5124 1
Schistosoma mansoni serine/threonine protein kinase 0.0083 0.0042 0.0042
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0314 0.166 0.1802
Brugia malayi metallopeptidase family M24 containing protein 0.0102 0.0179 0.0213
Brugia malayi thymidylate synthase 0.0314 0.166 0.1977
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.1276 0.8395 0.8395
Brugia malayi cyclin-dependent kinase 7 homolog 0.0099 0.0155 0.0185
Loa Loa (eye worm) methionine aminopeptidase type I 0.1276 0.8395 1
Echinococcus multilocularis Xaa Pro aminopeptidase 3 0.0102 0.0179 0.0179
Echinococcus granulosus Xaa Pro aminopeptidase 3 0.0102 0.0179 0.0179
Echinococcus multilocularis methionyl aminopeptidase 2 0.0102 0.0179 0.0179
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0362 0.1996 0.2377
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0809 0.5124 1
Loa Loa (eye worm) CMGC/CDK/CDK7 protein kinase 0.0083 0.0042 0.005
Schistosoma mansoni Xaa-Pro dipeptidase (M24 family) 0.0102 0.0179 0.0179
Leishmania major hypothetical protein, conserved 0.0467 0.2735 0.3111
Entamoeba histolytica aminopeptidase, putative 0.0102 0.0179 0.5
Toxoplasma gondii hypothetical protein 0.0467 0.2735 0.3111
Loa Loa (eye worm) initiation factor 2-associated protein 0.0102 0.0179 0.0213
Brugia malayi Methionine aminopeptidase protein type I 0.1276 0.8395 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0179 0.0213
Schistosoma mansoni aminopeptidase P1 (M24 family) 0.0102 0.0179 0.0179
Echinococcus multilocularis cyclin dependent kinase 7 0.0083 0.0042 0.0042
Mycobacterium ulcerans thymidylate synthase 0.0314 0.166 0.2995
Onchocerca volvulus 0.0314 0.166 1
Echinococcus multilocularis methionine aminopeptidase, type I 0.0102 0.0179 0.0179
Schistosoma mansoni microtubule-associated protein tau 0.1505 1 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.1276 0.8395 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0809 0.5124 1
Brugia malayi metallopeptidase family M24 containing protein 0.0102 0.0179 0.0213
Plasmodium falciparum HP12 protein homolog, putative 0.0467 0.2735 0.3111
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0314 0.166 0.1802
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.1276 0.8395 0.8395
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.1276 0.8395 1
Mycobacterium tuberculosis Hypothetical protein 0.0149 0.0509 0.0667
Brugia malayi metallopeptidase family M24 containing protein 0.0102 0.0179 0.0213
Loa Loa (eye worm) thymidylate synthase 0.0314 0.166 0.1977
Loa Loa (eye worm) metallopeptidase family M24 containing protein 0.0102 0.0179 0.0213
Echinococcus multilocularis microtubule associated protein 2 0.1505 1 1
Brugia malayi DNA-binding protein, 42 kDa containing protein 0.0102 0.0179 0.0213
Toxoplasma gondii cell-cycle-associated protein kinase, putative 0.023 0.107 0.1085
Chlamydia trachomatis methionine aminopeptidase 0.0809 0.5124 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.0362 0.1996 0.2212
Schistosoma mansoni peptidase 0.0102 0.0179 0.0179
Echinococcus granulosus cyclin dependent kinase 7 0.0083 0.0042 0.0042
Entamoeba histolytica methionine aminopeptidase, putative 0.0102 0.0179 0.5
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0362 0.1996 0.2212
Toxoplasma gondii methionine aminopeptidase 0.1276 0.8395 1
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0102 0.0179 0.0179
Brugia malayi initiation factor 2-associated protein. 0.0102 0.0179 0.0213
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.1276 0.8395 1
Treponema pallidum methionine aminopeptidase (map) 0.0809 0.5124 1
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0102 0.0179 0.0179
Trichomonas vaginalis conserved hypothetical protein 0.0149 0.0509 1
Schistosoma mansoni chromatin-specific transcription elongation factor 140 kDa subunit (M24 family) 0.0102 0.0179 0.0179
Mycobacterium ulcerans methionine aminopeptidase 0.0809 0.5124 1
Giardia lamblia Methionine aminopeptidase 0.0102 0.0179 0.5
Giardia lamblia Xaa-Pro dipeptidase 0.0102 0.0179 0.5
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0314 0.166 0.1802
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0809 0.5124 0.5124
Echinococcus granulosus Proliferation associated protein 2G4 0.0102 0.0179 0.0179
Entamoeba histolytica Xaa-Pro dipeptidase, putative 0.0102 0.0179 0.5
Giardia lamblia Xaa-Pro dipeptidase 0.0102 0.0179 0.5
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0809 0.5124 0.5124
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0246 0.1183 0.1223
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0314 0.166 0.1802
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0314 0.166 0.2995

Activities

No activities found for this compound.

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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