QUININE SULFATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2005)
Entry Type: Small molecule
Molecule Category: Salt
UNII: KF7Z0E0Q2B
Parent Compound: QUININE

Structure
InChI Key ZHNFLHYOFXQIOW-LPYZJUEESA-N
Smile C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O
InChI
InChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19-,20+;;;/m00.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H54N4O10S
Molecular Weight 782.96
AlogP 3.17
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 45.59
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Ferriprotoporphyrin IX inhibitor PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Phosphatase
- - - - 0
Enzyme
- - - - 0
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
14.41
Renal and urinary disorders
12.36
Blood and lymphatic system disorders
11.41
Injury, poisoning and procedural complications
11.27
Eye disorders
9.8
Nervous system disorders
9.44
General disorders and administration site conditions
4.46
Cardiac disorders
3.95
Psychiatric disorders
3.51
Gastrointestinal disorders
3.29
Investigations
3.15
Skin and subcutaneous tissue disorders
2.71
Immune system disorders
2.27

Cross References

Resources Reference
ChEBI 52251
ChEMBL CHEMBL2359966
EPA CompTox DTXSID0048979
FDA SRS KF7Z0E0Q2B
PubChem 16211610
SureChEMBL SCHEMBL231376
ZINC ZINC03831404
CONTENTS