Detailed information for compound 58261

Basic information

Technical information
  • TDR Targets ID: 58261
  • Name: N-(3-chlorophenyl)-4,5-dihydro-1H-imidazol-2- amine
  • MW: 195.649 | Formula: C9H10ClN3
  • H donors: 2 H acceptors: 0 LogP: 1.24 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)NC1=NCCN1
  • InChi: 1S/C9H10ClN3/c10-7-2-1-3-8(6-7)13-9-11-4-5-12-9/h1-3,6H,4-5H2,(H2,11,12,13)
  • InChiKey: FHEDEBIQWKVZRT-UHFFFAOYSA-N  

Network

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Synonyms

  • (3-chlorophenyl)-(2-imidazolin-2-yl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens 5-hydroxytryptamine (serotonin) receptor 3D, ionotropic Starlite/ChEMBL 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
Brugia malayi Cation transporter family protein 5-hydroxytryptamine (serotonin) receptor 3D, ionotropic 404 aa 445 aa 22.0 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Onchocerca volvulus 0.0065 0 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0202 0.1541 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0177 0.1265 0.8209
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0953 1 1
Trichomonas vaginalis hypothetical protein 0.0953 1 0.5
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0065 0 0.5
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0065 0 0.5
Trypanosoma brucei pteridine reductase 1 0.0065 0 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0065 0 0.5
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0065 0 0.5
Plasmodium falciparum enoyl-acyl carrier reductase 0.0953 1 1
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0953 1 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0953 1 1
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0953 1 1
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0953 1 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.0202 0.1541 0.1541
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0065 0 0.5
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0202 0.1541 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0202 0.1541 1
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.0202 0.1541 0.5
Loa Loa (eye worm) hypothetical protein 0.0202 0.1541 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0065 0 0.5
Leishmania major pteridine reductase 1 0.0065 0 0.5
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0177 0.1265 0.8209
Leishmania major oxidoreductase-like protein 0.0065 0 0.5
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0953 1 1
Onchocerca volvulus 0.0065 0 0.5
Trypanosoma brucei oxidoreductase-like protein 0.0065 0 0.5
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0202 0.1541 1
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0065 0 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0177 0.1265 0.8209
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0177 0.1265 1
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0065 0 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0202 0.1541 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) > 10000 nM Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand. ChEMBL. 11412989
Ki (binding) > 10000 nM Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma cells using [3H]-GR-65,630 radioligand. ChEMBL. 11412989

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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