Detailed information for compound 23707

Basic information

Technical information
  • TDR Targets ID: 23707
  • Name: N-(cyclopentylmethyl)-N-(2,6-dibromophenyl)-4 ,5-dihydro-1H-imidazol-2-amine
  • MW: 401.139 | Formula: C15H19Br2N3
  • H donors: 1 H acceptors: 0 LogP: 4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Brc1cccc(c1N(C1=NCCN1)CC1CCCC1)Br
  • InChi: 1S/C15H19Br2N3/c16-12-6-3-7-13(17)14(12)20(15-18-8-9-19-15)10-11-4-1-2-5-11/h3,6-7,11H,1-2,4-5,8-10H2,(H,18,19)
  • InChiKey: FURIAHZUOLBAGF-UHFFFAOYSA-N  

Network

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Synonyms

  • cyclopentylmethyl-(2,6-dibromophenyl)-(2-imidazolin-2-yl)amine
  • cyclopentylmethyl-(2,6-dibromophenyl)-(4,5-dihydro-1H-imidazol-2-yl)amine

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
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 2 0.0212 0.4985 1
Echinococcus multilocularis cyclins 0.0185 0.3185 0.6388
Brugia malayi Cyclin, N-terminal domain containing protein 0.0185 0.3185 0.3185
Echinococcus multilocularis enhancer of mRNA decapping protein 4 0.0207 0.4643 0.9314
Brugia malayi Cyclin, N-terminal domain containing protein 0.0185 0.3185 0.3185
Plasmodium falciparum cyclin 0.0185 0.3185 0.6388
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0212 0.4985 1
Trichomonas vaginalis cyclins, putative 0.0185 0.3185 0.6388
Trichomonas vaginalis cyclin B, putative 0.0185 0.3185 0.6388
Toxoplasma gondii protein kinase, cAMP-dependent, catalytic chain 0.0212 0.4985 1
Plasmodium falciparum cAMP-dependent protein kinase catalytic subunit 0.0212 0.4985 1
Schistosoma mansoni serine/threonine protein kinase 0.0212 0.4985 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0185 0.3185 0.3185
Schistosoma mansoni cyclin B3 0.0185 0.3185 0.6388
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0185 0.3185 0.6388
Trichomonas vaginalis AGC family protein kinase 0.0212 0.4985 1
Echinococcus granulosus cyclins 0.0185 0.3185 0.6388
Echinococcus granulosus cyclins 0.0185 0.3185 0.6388
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0212 0.4985 1
Echinococcus granulosus cyclin B3 1 0.0185 0.3185 0.6388
Toxoplasma gondii AGC kinase 0.0212 0.4985 1
Loa Loa (eye worm) AGC/PKA protein kinase 0.0212 0.4985 0.4985
Echinococcus granulosus cyclins 0.0185 0.3185 0.6388
Trichomonas vaginalis cyclins, putative 0.0185 0.3185 0.6388
Trypanosoma brucei mitotic cyclin 6 0.0185 0.3185 0.6388
Toxoplasma gondii hypothetical protein 0.014 0.0265 0.0532
Schistosoma mansoni cyclin B 0.0185 0.3185 0.6388
Trypanosoma brucei protein kinase A catalytic subunit, putative 0.0212 0.4985 1
Echinococcus granulosus cyclins 0.0185 0.3185 0.6388
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0212 0.4985 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.3185 0.3185
Entamoeba histolytica cyclin, putative 0.0185 0.3185 0.6388
Echinococcus granulosus cyclin B 0.0185 0.3185 0.6388
Echinococcus multilocularis cyclins 0.0185 0.3185 0.6388
Entamoeba histolytica cyclin family protein 0.0185 0.3185 0.6388
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0212 0.4985 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0212 0.4985 1
Entamoeba histolytica cyclin, putative 0.0185 0.3185 0.6388
Echinococcus multilocularis cyclin B3 1 0.0185 0.3185 0.6388
Giardia lamblia G2/mitotic-specific cyclin B 0.0185 0.3185 0.6388
Trichomonas vaginalis cyclin D, putative 0.0185 0.3185 0.6388
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 1 0.0212 0.4985 1
Echinococcus granulosus cyclin b3 0.0185 0.3185 0.6388
Trichomonas vaginalis conserved hypothetical protein 0.0185 0.3185 0.6388
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0185 0.3185 0.6388
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 2 0.0212 0.4985 1
Schistosoma mansoni serine/threonine protein kinase 0.0212 0.4985 1
Echinococcus multilocularis cyclin b3 0.0185 0.3185 0.6388
Trichomonas vaginalis cyclins, putative 0.0185 0.3185 0.6388
Schistosoma mansoni serine/threonine protein kinase 0.0212 0.4985 1
Giardia lamblia Hypothetical protein 0.0185 0.3185 0.6388
Trichomonas vaginalis cyclin B, putative 0.0185 0.3185 0.6388
Trichomonas vaginalis cyclin B3, putative 0.0185 0.3185 0.6388
Leishmania major protein kinase A catalytic subunit 0.0212 0.4985 1
Echinococcus granulosus cyclins 0.0185 0.3185 0.6388
Giardia lamblia Kinase, AGC PKA 0.0212 0.4985 1
Echinococcus multilocularis cyclins 0.0185 0.3185 0.6388
Giardia lamblia Cyclin A 0.0185 0.3185 0.6388
Echinococcus multilocularis cyclins 0.0185 0.3185 0.6388
Entamoeba histolytica PH domain containing protein kinase, putative 0.0212 0.4985 1
Trypanosoma cruzi cyclin, putative 0.0185 0.3185 0.6388
Echinococcus granulosus enhancer of mRNA decapping protein 4 0.0207 0.4643 0.9314
Echinococcus multilocularis cyclins 0.0185 0.3185 0.6388
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0212 0.4985 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0212 0.4985 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0185 0.3185 0.3185
Echinococcus multilocularis cyclin B 0.0185 0.3185 0.6388
Leishmania major cyclin 0.0185 0.3185 0.6388
Trypanosoma cruzi cyclin, putative 0.0185 0.3185 0.6388
Loa Loa (eye worm) cyclin domain-containing protein 0.0289 1 1
Trypanosoma cruzi cyclin 6, putative 0.0185 0.3185 0.6388
Trichomonas vaginalis cyclin D, putative 0.0185 0.3185 0.6388
Plasmodium vivax cAMP-dependent protein kinase catalytic subunit, putative 0.0212 0.4985 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0185 0.3185 0.6388
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0185 0.3185 0.6388
Loa Loa (eye worm) hypothetical protein 0.0185 0.3185 0.3185
Toxoplasma gondii AGC kinase 0.0212 0.4985 1
Echinococcus granulosus cAMP dependent protein kinase catalytic subunit 0.0212 0.4985 1
Trichomonas vaginalis cyclin B, putative 0.0185 0.3185 0.6388
Leishmania major protein kinase A catalytic subunit isoform 2 0.0212 0.4985 1
Brugia malayi cAMP-dependent protein kinase catalytic subunit, putative 0.0212 0.4985 0.4985
Trichomonas vaginalis cyclin A, putative 0.0185 0.3185 0.6388
Entamoeba histolytica cyclin family protein 0.0185 0.3185 0.6388
Trichomonas vaginalis cyclins, putative 0.0185 0.3185 0.6388
Onchocerca volvulus 0.0185 0.3185 0.5
Trypanosoma cruzi cAMP-dependent protein kinase catalytic subunit 3 0.0212 0.4985 1
Trichomonas vaginalis cyclins, putative 0.0185 0.3185 0.6388
Loa Loa (eye worm) AGC/PKA protein kinase 0.0212 0.4985 0.4985
Loa Loa (eye worm) hypothetical protein 0.0212 0.4985 0.4985
Echinococcus multilocularis cyclins 0.0185 0.3185 0.6388
Trichomonas vaginalis cyclin B, putative 0.0185 0.3185 0.6388
Echinococcus multilocularis cyclins 0.0185 0.3185 0.6388
Echinococcus multilocularis cAMP dependent protein kinase catalytic subunit 0.0212 0.4985 1
Trypanosoma brucei cAMP-dependent protein kinase catalytic subunit 1 0.0212 0.4985 1
Schistosoma mansoni cyclins 0.0185 0.3185 0.6388
Leishmania major protein kinase A catalytic subunit isoform 1 0.0212 0.4985 1
Trichomonas vaginalis cyclin B, putative 0.0185 0.3185 0.6388

Activities

Activity type Activity value Assay description Source Reference
D150 (functional) = 1.3 mg kg-1 Dose required to decrease heart rate after iv injection to spinal rats ChEMBL. 7452671
logD (ADMET) = 0.32 Partition coefficient (logD7.4) ChEMBL. 7452671
pKa = 10.9 Dissociation constant (pKa) ChEMBL. 7452671
Relative activity (functional) = 0.48 Evaluated for decreased heart rate in spinal rats, relative activity was determined ChEMBL. 7452671

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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