NYSTATIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A07AA02 D01AA01 G01AA01
UNII W1LX4T91WI
EPA CompTox DTXSID80872323

Structure

InChI Key VQOXZBDYSJBXMA-NQTDYLQESA-N
Smiles C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N)[C@@H]2O)C[C@@H]2O[C@](O)(C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O
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

Mechanism of Action Action Reference
Ergosterol sequestering agent 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
- - - - 23.4-76.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Alternaria alternata
- - - - 100
Candida albicans
- - - - 25
Cricetulus griseus
- - - - 49.23-76.2
Curvularia lunata
- - - - 100
Fusarium oxysporum
- - - - 100
Homo sapiens
- - - - 23.4-74.9

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL450895
DrugCentral 1977
FDA SRS W1LX4T91WI
KEGG C12155
SureChEMBL SCHEMBL18633553
ZINC ZINC000253387941
CONTENTS