====== Pyronaridine 1μM R06 exp295 ======
==== Mechanism of Action ====
Prevents sequestration of heme into hemozoin, forms toxic complex with heme, enhances hematin-induced red blood cell lysis, also intercalates into DNA
  * **<color #00a2e8>Class / Subclass 1:</color>** Infectious Disease / Antimalarial
  * **<color #00a2e8>Class / Subclass 2:</color>** DNA Damage, Repair and Replication / Intercalating Agent



==== Technical Notes ====
<accordion collapsed='true'>
<panel title='Protein References' collapsed='true'>
    * **<color #00a2e8>PubChem Name:</color>** %%Pyronaridine Tetraphosphate%%
    * **<color #00a2e8>Synonyms:</color>** N/A
    * **<color #00a2e8>CAS #:</color>** 76748-86-2
    * **<color #00a2e8>PubChem CID:</color>** [[https://pubchem.ncbi.nlm.nih.gov/compound/156867|156867]]
    * **<color #00a2e8>IUPAC:</color>** %%4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;phosphoric acid%%
    * **<color #00a2e8>INCHI Name:</color>** InChI=1S/C29H32ClN5O2.4H3O4P/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35;4*1-5(2,3)4/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32);4*(H3,1,2,3,4)
    * **<color #00a2e8>INCHI Key:</color>** YKUQEKXHQFYULM-UHFFFAOYSA-N
    * **<color #00a2e8>Molecular Weight:</color>** 910
    * **<color #00a2e8>Canonical SMILES:</color>** COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C(=C4)CN5CCCC5)O)CN6CCCC6.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O
    * **<color #00a2e8>Isomeric SMILES:</color>** N/A
    * **<color #00a2e8>Molecular Formula:</color>** C29H44ClN5O18P4
{{:chemogenomics:structures:chem-0183.svg?nolink}}
</panel>


<panel title='Protein Supplier' collapsed='true'>
    * **<color #00a2e8>Supplier Name:</color>** Toronto Research Chemicals
    * **<color #00a2e8>Catalog #:</color>** P997640
    * **<color #00a2e8>Lot #:</color>** 2-LXM-24-1
</panel>


<panel title='Protein Characterization' collapsed='true'>
    * **<color #00a2e8>HRMS (ESI-TOF) m/z:</color>** (M+H)+ Calcd for C29H32ClN5O2 518.23173; found 518.23369
</panel>


<panel title='Dose Response Curve' collapsed='true'>
    * **<color #00a2e8>Platform ID:</color>** Quin-A5
    * **<color #00a2e8>Min:</color>** -1.3233; **<color #00a2e8>Max:</color>** 98.8324
{{:chemogenomics:dose_response:dr_296.png?nolink&500 |}}
\\ 
\\ 
\\ 
\\ 
|< 300px 100px 200px >|
^ IC   ^ Concentration (µM) ^
| IC10  |N/A    |
| IC20  |0.0008    |
| IC30  |0.0009    |
| IC40  |0.0010    |
| IC50  |0.0012    |
| IC60  |N/A    |
| IC70  |N/A    |
| IC80  |N/A    |
| IC90  |N/A    |
\\ 
</panel>
</accordion>
==== Screen Summary ====
    * **<color #00a2e8>Round</color>**: 06
    * **<color #00a2e8>Dose</color>**: 1µM
    * **<color #00a2e8>Days of incubation</color>**: 8
    * **<color #00a2e8>Doublings</color>**: 6.6
    * **<color #00a2e8>Numbers of reads</color>**: 9442215


==== 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^
|0/0|<color #e85500>[[https://files.tyerslab.com/files/public/chemogenomics/cranks/Pyronaridine_1uM_Round-6_exp295.txt|Scores]]</color>|<button type="primary" size="sm" modal="ScorePlot">View</button>|<button type="primary" size="sm" modal="modal_hits">View</button>|<button type="primary" 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='Pyronaridine 1μM R06 exp295'>
{{:chemogenomics:cranks_plots:exp295.png?nolink}}
</modal>


<modal id="modal_hits" size="sm" title="Top 30 S/R Genes">
^Gene^CRANKS Score^FDR^
|[[:human_genes:Z:ZSCAN12|ZSCAN12]]|-3.12|0.39|
|[[:human_genes:P:PRAMEF25|PRAMEF25]]|-2.65|0.73|
|[[:human_genes:P:PRAMEF26|PRAMEF26]]|-2.65|0.73|
|[[:human_genes:A:ALG13|ALG13]]|-2.56|0.39|
|[[:human_genes:T:TXNRD1|TXNRD1]]|-2.37|0.68|
|[[:human_genes:B:BBS9|BBS9]]|-2.31|0.39|
|[[:human_genes:T:TMSB15B|TMSB15B]]|-2.23|0.77|
|[[:human_genes:P:PARK2|PARK2]]|-2.15|0.60|
|[[:human_genes:Z:ZFYVE20|ZFYVE20]]|-2.12|0.65|
|[[:human_genes:F:FKBP14|FKBP14]]|-2.10|0.60|
|[[:human_genes:Z:ZNF550|ZNF550]]|-2.10|0.60|
|[[:human_genes:A:ATP6V1D|ATP6V1D]]|-2.08|0.68|
|[[:human_genes:Z:ZNF507|ZNF507]]|-2.06|0.60|
|[[:human_genes:C:COG2|COG2]]|-2.04|0.68|
|[[:human_genes:I:IQGAP3|IQGAP3]]|-2.03|0.60|
|[[:human_genes:K:KBTBD2|KBTBD2]]|-2.02|0.60|
|[[:human_genes:D:DDX24|DDX24]]|-2.01|0.62|
|[[:human_genes:T:TSC2|TSC2]]|-2.00|0.60|
|[[:human_genes:V:VPS25|VPS25]]|-1.99|0.84|
|[[:human_genes:M:MORC3|MORC3]]|-1.99|0.60|
|[[:human_genes:T:TCF4|TCF4]]|-1.98|0.60|
|[[:human_genes:U:UTP6|UTP6]]|-1.98|0.73|
|[[:human_genes:N:NUDT9|NUDT9]]|-1.97|0.60|
|[[:human_genes:S:SIGLEC7|SIGLEC7]]|-1.95|0.68|
|[[:human_genes:K:KCTD5|KCTD5]]|-1.94|0.60|
|[[:human_genes:S:SFR1|SFR1]]|-1.94|0.60|
|[[:human_genes:C:CEP57|CEP57]]|-1.94|0.60|
|[[:human_genes:S:SMPD4|SMPD4]]|-1.92|0.68|
|[[:human_genes:V:VN1R4|VN1R4]]|-1.91|0.62|
|[[:human_genes:P:PTGR2|PTGR2]]|-1.89|0.62|
|[[:human_genes:C:CEP78|CEP78]]|1.91|0.64|
|[[:human_genes:S:STPG1|STPG1]]|1.91|0.67|
|[[:human_genes:T:TIMM8B|TIMM8B]]|1.92|0.67|
|[[:human_genes:M:MARVELD1|MARVELD1]]|1.92|0.84|
|[[:human_genes:Y:YME1L1|YME1L1]]|1.93|0.64|
|[[:human_genes:O:OR2A7|OR2A7]]|1.93|0.76|
|[[:human_genes:C:CRKL|CRKL]]|1.93|0.76|
|[[:human_genes:R:RPA1|RPA1]]|1.93|0.80|
|[[:human_genes:Z:ZC3HAV1|ZC3HAV1]]|1.94|0.64|
|[[:human_genes:A:ABT1|ABT1]]|1.94|0.66|
|[[:human_genes:K:KRT3|KRT3]]|1.97|0.64|
|[[:human_genes:G:GBA3|GBA3]]|1.99|0.64|
|[[:human_genes:O:OR5AP2|OR5AP2]]|2.01|0.57|
|[[:human_genes:S:SLC25A28|SLC25A28]]|2.05|0.54|
|[[:human_genes:F:FDXR|FDXR]]|2.05|0.54|
|[[:human_genes:D:DAZAP2|DAZAP2]]|2.06|0.64|
|[[:human_genes:K:KDM4D|KDM4D]]|2.09|0.66|
|[[:human_genes:I:INPP5F|INPP5F]]|2.12|0.54|
|[[:human_genes:P:PDHX|PDHX]]|2.12|0.54|
|[[:human_genes:W:WDR43|WDR43]]|2.15|0.78|
|[[:human_genes:N:NAGK|NAGK]]|2.16|0.54|
|[[:human_genes:L:LOC643669|LOC643669]]|2.18|0.54|
|[[:human_genes:D:DGAT2|DGAT2]]|2.20|0.54|
|[[:human_genes:X:XPNPEP2|XPNPEP2]]|2.21|0.54|
|[[:human_genes:R:RPL8|RPL8]]|2.21|0.80|
|[[:human_genes:T:TTYH1|TTYH1]]|2.21|0.54|
|[[:human_genes:D:DHX8|DHX8]]|2.24|0.76|
|[[:human_genes:N:NDUFB7|NDUFB7]]|2.26|0.58|
|[[:human_genes:F:FAM63A|FAM63A]]|2.36|0.46|
|[[:human_genes:P:PSMB4|PSMB4]]|2.80|0.46|
</modal>


<modal id="modal_screen_similarity" size="lg" title="Correlated Screens">
^Screen^Correlation^Plot^
|[[:results:exp286|HMS-I2 1μM R06 exp286]]|0.057|<button type="primary" size="small" modal="1">View</button>|
|[[:results:exp12|Chloramphenicol 2μM R00 exp12]]|0.054|<button type="primary" size="small" modal="2">View</button>|
</modal>


<modal id="1" size="lg" title="HMS-I2 1μM R06 exp286  vs  Pyronaridine 1μM R06 exp295">
{{:chemogenomics:comparison_plots:exp286_vs_exp295.png?nolink |}}
</modal>

<modal id="2" size="lg" title="Chloramphenicol 2μM R00 exp12  vs  Pyronaridine 1μM R06 exp295">
{{:chemogenomics:comparison_plots:exp12_vs_exp295.png?nolink |}}
</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>