Detailed information for compound 176562

Basic information

Technical information
  • TDR Targets ID: 176562
  • Name: 4-(1-prop-2-enyl-3,6-dihydro-2H-pyridin-5-yl) -1,3-thiazol-2-amine
  • MW: 221.322 | Formula: C11H15N3S
  • H donors: 1 H acceptors: 1 LogP: 1.49 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(cs1)C1=CCCN(C1)CC=C
  • InChi: 1S/C11H15N3S/c1-2-5-14-6-3-4-9(7-14)10-8-15-11(12)13-10/h2,4,8H,1,3,5-7H2,(H2,12,13)
  • InChiKey: JMEQXIANNKFBTB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(1-allyl-3,6-dihydro-2H-pyridin-5-yl)thiazol-2-amine
  • 4-(1-allyl-3,6-dihydro-2H-pyridin-5-yl)-2-thiazolamine
  • [4-(1-allyl-3,6-dihydro-2H-pyridin-5-yl)thiazol-2-yl]amine
  • PD 120697
  • 4-(1-prop-2-enyl-5,6-dihydro-2H-pyridin-3-yl)-1,3-thiazol-2-amine
  • 4-(1-allyl-5,6-dihydro-2H-pyridin-3-yl)thiazol-2-amine
  • 4-(1-allyl-5,6-dihydro-2H-pyridin-3-yl)-2-thiazolamine
  • [4-(1-allyl-5,6-dihydro-2H-pyridin-3-yl)thiazol-2-yl]amine
  • 108351-91-3
  • 4-(1,2,5,6-Tetrahydro-1-allyl-3-pyridinyl)-2-thiazolamine
  • PD-120697

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Dopamine D2 receptor 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
Onchocerca volvulus Glycoprotein hormone beta 5 homolog Dopamine D2 receptor   444 aa 476 aa 24.2 %
Echinococcus multilocularis g protein coupled receptor Dopamine D2 receptor   444 aa 465 aa 21.5 %
Echinococcus granulosus biogenic amine 5HT receptor Dopamine D2 receptor   444 aa 429 aa 31.7 %
Onchocerca volvulus RB1-inducible coiled-coil protein 1 homolog Dopamine D2 receptor   444 aa 474 aa 23.4 %
Echinococcus granulosus g protein coupled receptor Dopamine D2 receptor   444 aa 457 aa 21.0 %
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor Dopamine D2 receptor   444 aa 487 aa 23.8 %
Schistosoma japonicum ko:K04136 adrenergic receptor, alpha 1b, putative Dopamine D2 receptor   444 aa 440 aa 30.0 %
Onchocerca volvulus Dopamine D2 receptor   444 aa 418 aa 23.0 %
Loa Loa (eye worm) hypothetical protein Dopamine D2 receptor   444 aa 433 aa 21.2 %
Schistosoma mansoni amine GPCR Dopamine D2 receptor   444 aa 424 aa 32.1 %
Schistosoma japonicum ko:K04207 neuropeptide Y receptor Y5, putative Dopamine D2 receptor   444 aa 386 aa 19.7 %
Schistosoma japonicum ko:K04145 dopamine receptor D2, putative Dopamine D2 receptor   444 aa 432 aa 30.8 %
Schistosoma japonicum Octopamine receptor, putative Dopamine D2 receptor   444 aa 456 aa 29.4 %
Schistosoma mansoni biogenic amine receptor Dopamine D2 receptor   444 aa 452 aa 30.1 %
Echinococcus multilocularis serotonin receptor Dopamine D2 receptor   444 aa 428 aa 31.3 %
Schistosoma mansoni biogenic amine (dopamine) receptor Dopamine D2 receptor   444 aa 494 aa 26.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.5522 0.5 0.5
Trypanosoma brucei protein kinase, putative 0.5522 0.5 0.5
Giardia lamblia Kinase, CMGC MAPK 0.5522 0.5 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.5522 0.5 0.5
Trichomonas vaginalis CMGC family protein kinase 0.5522 0.5 0.5
Trichomonas vaginalis CMGC family protein kinase 0.5522 0.5 0.5
Trichomonas vaginalis CMGC family protein kinase 0.5522 0.5 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.5522 0.5 0.5
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.5522 0.5 0.5
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.5522 0.5 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.5522 0.5 0.5
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.5522 0.5 0.5
Echinococcus granulosus mitogen activated protein kinase 0.5522 0.5 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.5522 0.5 0.5
Echinococcus multilocularis mitogen activated protein kinase 0.5522 0.5 0.5
Schistosoma mansoni serine/threonine protein kinase 0.5522 0.5 0.5
Echinococcus granulosus mitogen activated protein kinase 3 0.5522 0.5 0.5
Echinococcus multilocularis mitogen activated protein kinase 3 0.5522 0.5 0.5
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.5522 0.5 0.5
Trichomonas vaginalis CMGC family protein kinase 0.5522 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Animals (functional) = 100 % Percent of animals showing stereotyped behavior in rats at 3 mg/kg ChEMBL. 1967314
ED50 (functional) = 0.3 mg kg-1 Reversal of 6-hydroxydopamine induced depression in lesioned rats after dosing for a period of 30 minutes ChEMBL. 1967314
ED50 (functional) = 2.8 mg kg-1 Inhibition of locomotor activity was determined after interperitoneal administration in mouse ChEMBL. 1967314
ED50 (functional) = 2.8 mg kg-1 Inhibition of locomotor activity was determined after interperitoneal administration in mouse ChEMBL. 1967314
ED50 (functional) = 8.7 mg kg-1 Reversal of reserpine-induced depression in rat after subcutaneous administration ChEMBL. 1967314
IC50 (binding) = 257 nM Inhibition of [3H]-N-propylnorapomorphine binding to Dopamine receptor D2 of rat striatal membranes ChEMBL. 1967314
IC50 (binding) = 257 nM Inhibition of [3H]-N-propylnorapomorphine binding to Dopamine receptor D2 of rat striatal membranes ChEMBL. 1967314
IC50 (binding) = 440 nM Inhibition of [3H]-haloperidol binding for Dopamine receptor D2 in rat striatal membranes. ChEMBL. 1967314
IC50 (binding) = 440 nM Inhibition of [3H]-haloperidol binding for Dopamine receptor D2 in rat striatal membranes. ChEMBL. 1967314
IC50 (binding) > 50000 nM Inhibition of binding of [3H]-SCH-23,390 to Dopamine receptor D1 was determined ChEMBL. 1967314
IC50 (binding) > 50000 nM Inhibition of binding of [3H]-SCH-23,390 to Dopamine receptor D1 was determined ChEMBL. 1967314
Inhibition (functional) = 30 % Inhibition of locomotor activity was determined after oral administration at a dose of 1 mg/kg in rat ChEMBL. 1967314
Inhibition (functional) = 100 % Decrease of DOPA formation effected by 30 mg/kg administered intraperitoneally in the striatum of GBL-treated rats ChEMBL. 1967314
Inhibition (functional) = 100 % Percent inhibition of dopamine neuronal firing in substantia nigra of anesthetized ratsafter (ip) administration at 2.5 mg/kg ChEMBL. 1967314

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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