====== PNU96415E 10μM R03 exp145 ======
==== Mechanism of Action ====
Antagonist of DRD4 and 5-HT2A receptors
  * **<color #00a2e8>Class / Subclass 1:</color>** Signal Transduction / GPCR Antagonist




==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Protein References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%1-(4-Fluorophenyl)-4-(2-(isochroman-1-yl)ethyl)piperazine dihydrochloride%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 170856-41-4
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/9909647|9909647]]
    * **<color #00a2e8>IUPAC:</color>** %%1-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(4-fluorophenyl)piperazine;dihydrochloride%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C21H25FN2O.2ClH/c22-18-5-7-19(8-6-18)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-25-21;;/h1-8,21H,9-16H2;2*1H
    * **<color #00a2e8>INCHI Key:</color>** OGMGYKPECFQXJJ-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 413.4
    * **<color #00a2e8>Canonical SMILES:</color>** C1COC(C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)F.Cl.Cl
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C21H27Cl2FN2O
{{:chemogenomics:structures:chem-0096.svg?nolink}}
</panel>


<panel title='Protein Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Tocris Bioscience
    * **<color #00a2e8>Catalog #:</color>** 2735
    * **<color #00a2e8>Lot #:</color>** 2A/162592
</panel>


<panel title='Protein Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C21H25FN2O 341.20237; found 341.20324
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** PNU96415E
    * **<color #00a2e8>Min:</color>** -0.8703; **<color #00a2e8>Max:</color>** 23.0371
{{:chemogenomics:dose_response:dr_110.png?nolink&500 |}}
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|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |N/A    |
| IC30  |N/A    |
| IC40  |N/A    |
| IC50  |N/A    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 03
    * **<color #00a2e8>Dose</color>**: 10µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 8.0
    * **<color #00a2e8>Numbers of reads</color>**: 10007799


==== Screen Results ====


^Sensitive/Resistant hits (FDR<0.05)^CRANKS^Score Plot^Top 30 Genes^Screen Similarity^Top 30 Sensitive GO terms^Top 30 Resistant GO terms^
|1/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/PNU96415E_10uM_Round-3_exp145.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="default" size="sm" modal="modal_screen_similarity">View</button>|<button type="default" size="sm" modal="modal_go_sensitive">View</button>|<button type="default" size="sm" modal="modal_go_resistant">View</button>|
<modal id='ScorePlot' size='lg' title='PNU96415E 10μM R03 exp145'>
{{:chemogenomics:cranks_plots:exp145.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:G:GCLM|GCLM]]|-3.33|<0.01|
|[[:human_genes:L:LINGO1|LINGO1]]|-2.41|0.40|
|[[:human_genes:G:GCLC|GCLC]]|-2.34|0.40|
|[[:human_genes:D:DZIP1L|DZIP1L]]|-2.33|0.40|
|[[:human_genes:R:RNF216|RNF216]]|-2.32|0.40|
|[[:human_genes:O:ODC1|ODC1]]|-2.23|0.40|
|[[:human_genes:L:LENG8|LENG8]]|-2.23|0.46|
|[[:human_genes:C:C22orf23|C22orf23]]|-2.15|0.52|
|[[:human_genes:C:COG2|COG2]]|-2.15|0.52|
|[[:human_genes:P:PDE6A|PDE6A]]|-2.14|0.45|
|[[:human_genes:C:CMTM2|CMTM2]]|-2.14|0.46|
|[[:human_genes:U:UHRF1|UHRF1]]|-2.10|0.46|
|[[:human_genes:M:MOCS3|MOCS3]]|-2.07|0.54|
|[[:human_genes:E:EBF3|EBF3]]|-2.05|0.46|
|[[:human_genes:M:MYH13|MYH13]]|-2.05|0.54|
|[[:human_genes:N:NTN5|NTN5]]|-2.00|0.46|
|[[:human_genes:R:RBM20|RBM20]]|-2.00|0.46|
|[[:human_genes:M:MUC5B|MUC5B]]|-2.00|0.55|
|[[:human_genes:E:EXOC4|EXOC4]]|-2.00|0.46|
|[[:human_genes:K:KDSR|KDSR]]|-1.99|0.46|
|[[:human_genes:B:B4GALT6|B4GALT6]]|-1.99|0.46|
|[[:human_genes:C:CDKN1A|CDKN1A]]|-1.98|0.46|
|[[:human_genes:R:RPE|RPE]]|-1.97|0.53|
|[[:human_genes:H:HR|HR]]|-1.96|0.48|
|[[:human_genes:T:TAS2R9|TAS2R9]]|-1.92|0.51|
|[[:human_genes:N:NDUFB5|NDUFB5]]|-1.92|0.51|
|[[:human_genes:T:TEN1|TEN1]]|-1.92|0.51|
|[[:human_genes:R:RAB39A|RAB39A]]|-1.90|0.54|
|[[:human_genes:T:THBS2|THBS2]]|-1.90|0.54|
|[[:human_genes:A:ARF1|ARF1]]|-1.88|0.53|
|[[:human_genes:N:NFYC|NFYC]]|1.94|0.53|
|[[:human_genes:E:ECI2|ECI2]]|1.95|0.48|
|[[:human_genes:Z:ZNF280D|ZNF280D]]|1.95|0.48|
|[[:human_genes:R:RNF122|RNF122]]|1.95|0.48|
|[[:human_genes:S:SRSF3|SRSF3]]|1.96|0.52|
|[[:human_genes:N:NOP58|NOP58]]|1.98|0.64|
|[[:human_genes:A:ANKRD33|ANKRD33]]|1.99|0.50|
|[[:human_genes:S:SCFD1|SCFD1]]|2.00|0.64|
|[[:human_genes:P:PLN|PLN]]|2.01|0.72|
|[[:human_genes:P:PCCA|PCCA]]|2.02|0.50|
|[[:human_genes:R:RGS14|RGS14]]|2.02|0.43|
|[[:human_genes:E:EVI5L|EVI5L]]|2.03|0.43|
|[[:human_genes:S:SCAMP1|SCAMP1]]|2.04|0.55|
|[[:human_genes:R:RNF113A|RNF113A]]|2.04|0.64|
|[[:human_genes:C:C17orf66|C17orf66]]|2.04|0.43|
|[[:human_genes:B:B4GALNT4|B4GALNT4]]|2.06|0.48|
|[[:human_genes:O:OR5T1|OR5T1]]|2.07|0.43|
|[[:human_genes:S:SAMD9|SAMD9]]|2.08|0.43|
|[[:human_genes:R:RPS23|RPS23]]|2.09|0.43|
|[[:human_genes:Z:ZNF562|ZNF562]]|2.12|0.43|
|[[:human_genes:H:HFM1|HFM1]]|2.13|0.43|
|[[:human_genes:M:MAP2K1|MAP2K1]]|2.15|0.43|
|[[:human_genes:U:UIMC1|UIMC1]]|2.15|0.43|
|[[:human_genes:S:SLFN14|SLFN14]]|2.16|0.43|
|[[:human_genes:M:MAK16|MAK16]]|2.18|0.43|
|[[:human_genes:I:IFNAR2|IFNAR2]]|2.20|0.43|
|[[:human_genes:Z:ZC3H13|ZC3H13]]|2.21|0.48|
|[[:human_genes:G:GGA3|GGA3]]|2.22|0.43|
|[[:human_genes:T:TMSB15B|TMSB15B]]|2.59|0.56|
|[[:human_genes:L:LCA5L|LCA5L]]|2.70|0.31|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
No correlation data above threshold. (correlation > 0.05)
</modal>


<modal id="modal_go_sensitive" size="lg" title="Top 30 sensitive GO terms">No GO term hits below threshold. (FDR <0.05)</modal>
<modal id="modal_go_resistant" size="lg" title="Top 30 resistant GO terms">No GO term hits below threshold. (FDR <0.05)</modal>