Detailed information for compound 308377

Basic information

Technical information
  • TDR Targets ID: 308377
  • Name: 4-[2-(dipropylamino)cyclopropyl]phenol
  • MW: 233.349 | Formula: C15H23NO
  • H donors: 1 H acceptors: 1 LogP: 3.64 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN(C1CC1c1ccc(cc1)O)CCC
  • InChi: 1S/C15H23NO/c1-3-9-16(10-4-2)15-11-14(15)12-5-7-13(17)8-6-12/h5-8,14-15,17H,3-4,9-11H2,1-2H3
  • InChiKey: KYYDOJVIXFOGOC-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Schistosoma mansoni integrin beta subunit 0.0176 0.237 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0138 0.1733 1
Giardia lamblia ABC transporter, putative 0.0121 0.1461 0.0563
Trichomonas vaginalis chromobox protein, putative 0.0055 0.036 0.2077
Loa Loa (eye worm) hypothetical protein 0.0081 0.0787 0.1754
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0121 0.1461 0.5
Loa Loa (eye worm) hypothetical protein 0.012 0.1445 0.3252
Loa Loa (eye worm) hypothetical protein 0.0045 0.0205 0.0429
Echinococcus multilocularis integrin beta 2 0.0222 0.3122 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.1461 0.3289
Trichomonas vaginalis chromobox protein, putative 0.0055 0.036 0.2077
Trypanosoma brucei p-glycoprotein 0.0121 0.1461 0.5
Schistosoma mansoni chromobox protein 0.0055 0.036 0.1457
Brugia malayi multidrug resistance related protein 1 0.0121 0.1461 0.2988
Trypanosoma cruzi multidrug resistance protein E, putative 0.0121 0.1461 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0138 0.1733 1
Echinococcus granulosus integrin beta 2 0.0222 0.3122 1
Echinococcus granulosus multidrug resistance associated protein 4 0.0093 0.0995 0.2297
Brugia malayi ABC transporter transmembrane region family protein 0.0121 0.1461 0.2988
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0138 0.1733 1
Loa Loa (eye worm) hypothetical protein 0.011 0.1282 0.2882
Schistosoma mansoni multidrug resistance protein 0.0121 0.1461 0.6137
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0121 0.1461 0.5
Echinococcus multilocularis multidrug resistance associated protein 4 0.0093 0.0995 0.2297
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0138 0.1733 1
Leishmania major pentamidine resistance protein 1 0.0121 0.1461 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0138 0.1733 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0138 0.1733 1
Brugia malayi Heterochromatin protein 1 0.0055 0.036 0.0368
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0121 0.1461 0.5
Echinococcus multilocularis multidrug resistance associated protein 7 0.0121 0.1461 0.3985
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0637 1 1
Loa Loa (eye worm) hypothetical protein 0.0278 0.4054 0.9197
Brugia malayi Integrin alpha cytoplasmic region family protein 0.011 0.1282 0.2563
Loa Loa (eye worm) hypothetical protein 0.0115 0.1351 0.304
Schistosoma mansoni multidrug resistance protein 0.0121 0.1461 0.6137
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0121 0.1461 0.5
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0197 0.2713 0.0066
Loa Loa (eye worm) multidrug resistance-associated protein 0.0094 0.1011 0.2264
Echinococcus granulosus multidrug resistance associated protein 1 0.0121 0.1461 0.3985
Echinococcus granulosus multidrug resistance associated protein 7 0.0121 0.1461 0.3985
Giardia lamblia Fructose-bisphosphate aldolase 0.0138 0.1733 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0138 0.1733 1
Loa Loa (eye worm) hypothetical protein 0.0278 0.4054 0.9197
Schistosoma mansoni multidrug resistance protein 0.0121 0.1461 0.6137
Echinococcus multilocularis integrin alpha ps 0.0065 0.0537 0.064
Schistosoma mansoni multidrug resistance protein 0.0121 0.1461 0.6137
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0121 0.1461 0.3289
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0033 0 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0121 0.1461 0.5
Loa Loa (eye worm) heterochromatin protein 1 0.0055 0.036 0.0781
Schistosoma mansoni integrin alpha-ps 0.0065 0.0537 0.2209
Treponema pallidum fructose-bisphosphate aldolase 0.0138 0.1733 0.5
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0121 0.1461 0.5
Loa Loa (eye worm) kelch domain-containing protein family protein 0.0045 0.0205 0.0429
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0138 0.1733 1
Loa Loa (eye worm) integrin alpha pat-2 0.0225 0.3181 0.7208
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0138 0.1733 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0121 0.1461 0.0563
Echinococcus granulosus integrin alpha 3 0.0112 0.1307 0.3427
Giardia lamblia Multidrug resistance-associated protein 1 0.0121 0.1461 0.0563
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0121 0.1461 1
Loa Loa (eye worm) hypothetical protein 0.0278 0.4054 0.9197
Brugia malayi Integrin beta pat-3 precursor 0.0299 0.4406 1
Giardia lamblia MRP-like ABC transporter 0.0121 0.1461 0.0563
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0138 0.1733 1
Leishmania major p-glycoprotein e 0.0121 0.1461 0.5
Schistosoma mansoni chromobox protein 0.0055 0.036 0.1457
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0121 0.1461 1
Echinococcus granulosus integrin alpha ps 0.0065 0.0537 0.064
Loa Loa (eye worm) hypothetical protein 0.0121 0.1461 0.3289
Echinococcus multilocularis integrin alpha ps 0.0065 0.0537 0.064
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.0278 0.4054 0.9197
Trypanosoma brucei multidrug resistance protein E 0.0121 0.1461 0.5
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0637 1 1
Loa Loa (eye worm) integrin beta-2 0.0299 0.4406 1
Echinococcus multilocularis integrin alpha 3 0.0112 0.1307 0.3427
Schistosoma mansoni integrin alpha 0.0146 0.1871 0.7881
Echinococcus multilocularis multidrug resistance associated protein 1 0.0121 0.1461 0.3985
Leishmania major ABC-thiol transporter 0.0121 0.1461 0.5
Toxoplasma gondii hypothetical protein 0.0278 0.4054 1
Brugia malayi Integrin alpha pat-2 precursor 0.0146 0.1871 0.3965

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 50 uM kg-1 Evaluated for receptor mediated feedback inhibition of 5-HTP formation in limbic tissue of rat brain when administered subcutaneously ChEMBL. 3336037
ED50 (functional) > 50 uM kg-1 Evaluated for receptor mediated feedback inhibition of 5-HTP formation in striatum tissue of rat brain when administered subcutaneously ChEMBL. 3336037
ED50 (functional) > 50 uM kg-1 Evaluated for receptor mediated feedback inhibition of 5-HTP formation in hemisphere of rat brain when administered subcutaneously ChEMBL. 3336037
ED50 (functional) > 50 uM kg-1 Evaluated for receptor mediated feedback inhibition of 5-HTP formation in limbic tissue of rat brain when administered subcutaneously ChEMBL. 3336037
ED50 (functional) > 50 uM kg-1 Evaluated for receptor mediated feedback inhibition of 5-HTP formation in striatum tissue of rat brain when administered subcutaneously ChEMBL. 3336037
ED50 (functional) > 50 uM kg-1 Evaluated for receptor mediated feedback inhibition of 5-HTP formation in hemisphere of rat brain when administered subcutaneously ChEMBL. 3336037

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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