PYRVINIUM PAMOATE

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Trade Names:
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 310X6S84LW

Structure
InChI Key OOPDAHSJBRZRPH-UHFFFAOYSA-L
Smile Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.Cc1cc(/C=C/c2ccc3cc(N(C)C)ccc3[n+]2C)c(C)n1-c1ccccc1.O=C([O-])c1cc2ccccc2c(Cc2c(O)c(C(=O)[O-])cc3ccccc23)c1O
InChI
InChI=1S/2C26H28N3.C23H16O6/c2*1-19-17-21(20(2)29(19)24-9-7-6-8-10-24)11-13-23-14-12-22-18-25(27(3)4)15-16-26(22)28(23)5;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h2*6-18H,1-5H3;1-10,24-25H,11H2,(H,26,27)(H,28,29)/q2*+1;/p-2

Physicochemical Descriptors

Property Name Value
Molecular Formula C75H70N6O6
Molecular Weight 1151.42
AlogP 5.31
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 12.05
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 29.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 500 - - -
Enzyme Transferase
- - - - 98.6
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 32.66

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Carcinoma, Pancreatic Ductal 1 D021441 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 8688
ChEMBL CHEMBL1908377
EPA CompTox DTXSID4023545
FDA SRS 310X6S84LW
PubChem 54698174
SureChEMBL SCHEMBL62130
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