NYSTATIN

Search structure
Trade Names:
Synonyms:
Status: Approved (1964)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A07AA02
UNII: W1LX4T91WI

Structure
InChI Key VQOXZBDYSJBXMA-NQTDYLQESA-N
Smile C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)/C=C/C=C/C=C/C=C/CC/C=C/C=C/[C@H](C)[C@@H](O)[C@H]1C)O2
InChI
InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C47H75NO17
Molecular Weight 926.11
AlogP 0.94
Hydrogen Bond Acceptor 17.0
Hydrogen Bond Donor 12.0
Number of Rotational Bond 3.0
Polar Surface Area 319.61
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 65.0

Pharmacology

Action Mechanism of Action Reference
SEQUESTERING AGENT Ergosterol sequestering agent FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 49-69

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Candidiasis 4 D002177 ClinicalTrials
Leukemia 3 D007938 ClinicalTrials
HIV Infections 3 D015658 ClinicalTrials
Multiple Myeloma 3 D009101 ClinicalTrials
Candidiasis, Oral 3 D002180 ClinicalTrials
Myelodysplastic Syndromes 3 D009190 ClinicalTrials
Vaginosis, Bacterial 3 D016585 ClinicalTrials
HIV Infections 3 D015658 ClinicalTrials
Stomatitis 3 D013280 ClinicalTrials
Stomatitis 3 D013280 ClinicalTrials
Myeloproliferative Disorders 3 D009196 ClinicalTrials
Tobacco Use Disorder 3 D014029 ClinicalTrials
Burns 2 D002056 ClinicalTrials
Graft vs Host Disease 2 D006086 ClinicalTrials
Pneumonia 2 D011014 ClinicalTrials
Stomatitis, Denture 2 D013282 ClinicalTrials
Bacteremia 2 D016470 ClinicalTrials
Dental Caries 1 D003731 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
20.47
Gastrointestinal disorders
13.21
Skin and subcutaneous tissue disorders
12.52
Injury, poisoning and procedural complications
9.07
Respiratory, thoracic and mediastinal disorders
6.91
Immune system disorders
5.61
Infections and infestations
5.53
Nervous system disorders
5.09
Psychiatric disorders
3.2
Cardiac disorders
2.76
Musculoskeletal and connective tissue disorders
2.42
Vascular disorders
2.16

Cross References

Resources Reference
CAS NUMBER 1400-61-9
ChEMBL CHEMBL450895
DrugCentral 1977
EPA CompTox DTXSID80872323
FDA SRS W1LX4T91WI
KEGG C12155
SureChEMBL SCHEMBL18633553
ZINC ZINC000253387941
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