Detailed information for compound 20659

Basic information

Technical information
  • TDR Targets ID: 20659
  • Name: 2-fluoroapomorphine
  • MW: 285.313 | Formula: C17H16FNO2
  • H donors: 2 H acceptors: 2 LogP: 2.88 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCc2c3[C@H]1Cc1ccc(c(c1c3cc(c2)F)O)O
  • InChi: 1S/C17H16FNO2/c1-19-5-4-10-6-11(18)8-12-15(10)13(19)7-9-2-3-14(20)17(21)16(9)12/h2-3,6,8,13,20-21H,4-5,7H2,1H3/t13-/m1/s1
  • InChiKey: YBEUIAYJOLGULC-CYBMUJFWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 119771-41-4
  • 4H-Dibenzo(de,g)quinoline-10,11-diol, 2-fluoro-5,6,6a,7-tetrahydro-6-methyl-, (R)-

Targets

Known targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis calcium activated potassium channel 0.2659 0.0037 0.0074
Echinococcus granulosus maternal embryonic leucine zipper kinase 0.5339 0.5056 1
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.2659 0.0037 0.0074
Loa Loa (eye worm) CAMK/CAMKL/MELK protein kinase 0.7978 1 1
Echinococcus multilocularis maternal embryonic leucine zipper kinase 0.5339 0.5056 1
Schistosoma mansoni serine/threonine protein kinase 0.2659 0.0037 0.0037
Schistosoma mansoni serine/threonine protein kinase 0.2659 0.0037 0.0037
Schistosoma mansoni serine/threonine kinase 0.7978 1 1
Schistosoma mansoni serine/threonine protein kinase 0.2659 0.0037 0.0037
Schistosoma mansoni serine/threonine protein kinase 0.2659 0.0037 0.0037
Schistosoma mansoni serine/threonine protein kinase 0.2659 0.0037 0.0037
Echinococcus multilocularis serine:threonine protein kinase MARK2 0.2659 0.0037 0.0074
Trichomonas vaginalis CAMK family protein kinase 0.7978 1 1

Activities

Activity type Activity value Assay description Source Reference
D-2 (binding) = 32 % Proportion of high affinity state of D2 receptor measured by compound ability to displace [3H]-ADTN and [3H]-apomorphine from calf caudate membranes ChEMBL. 2524592
D-2 (binding) = 32 % Proportion of high affinity state of D2 receptor measured by compound ability to displace [3H]-ADTN and [3H]-apomorphine from calf caudate membranes ChEMBL. 2524592
D-2 (binding) = 68 % Proportion of high affinity state of Dopamine receptor D2 measured by compound ability to displace [3H]-ADTN and [3H]-apomorphine from calf caudate membranes ChEMBL. 2524592
D-2 (binding) = 68 % Proportion of high affinity state of Dopamine receptor D2 measured by compound ability to displace [3H]-ADTN and [3H]-apomorphine from calf caudate membranes ChEMBL. 2524592
Kd (binding) = 0.43 nM Compound was evaluated for the ability to displace [3H]-spiperone at dopamine receptor in porcine anterior pituitary gland as high affinity state ChEMBL. 2524592
Kd (binding) = 0.43 nM Compound was evaluated for the ability to displace [3H]-spiperone at dopamine receptor in porcine anterior pituitary gland as high affinity state ChEMBL. 2524592
Kd (binding) = 94.3 nM Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state ChEMBL. 2524592
Kd (binding) = 94.3 nM Compound was evaluated for the ability to displace [3H]-spiperone at Dopamine receptor D2 in porcine anterior pituitary gland as high affinity state ChEMBL. 2524592
Ki (binding) = 0.43 nM Displacement of [3H]raclopride from dopamine D2 receptor in rat striatal membrane ChEMBL. 18313931

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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