Details of the Drug

General Information of Drug (ID: DM63QS9)

Drug Name
Nystatin
Synonyms
Biofanal; Comycin; Diastatin; Fungicidin; Herniocid; Korostatin; Moronal; Myconystatin; Mycostatin; Mykinac; Mykostatyna; Nilstat; Nistatin; Nistatina; Nyamyc; Nyotran; Nystaform; Nystan; Nystatine; Nystatinum; Nystatyna; Nystavescent; Nystex; Nystop; Stamicin; Stamycin; Terrastatin; Candex Lotion; Mycostatin Pastilles; Nystatin A; Nystatin G; Nystatin preparation; Nystatyna [Polish]; Zydin E; Barstatin 100; Mycostatin 20; Nystatin A1; Nystatin A2; Nystatin A3; Animax (TN); Candio-hermal; Flagystatin II (TN); Infestat (TN); Korostatin (TN); Lystin (TN); Moronal (antibiotic); Mycostatin (TN); Mykacet (TN); Mykinac (TN); Mytrex (TN); Nidoflor (TN); Nilstat (TN); Nistatina (TN); Nistatina [INN-Spanish]; Nysert (TN);Nystaform (TN); Nystalocal (TN); Nystamont (TN); Nystan (TN); Nystatin LF (liposome); Nystatine [INN-French]; Nystatinum [INN-Latin]; Nystex (TN); Nystop (TN); O-V Statin; Myco-Triacet II (TN); Mycolog-II (TN); Nystatin A1, A2, A3 complex; Nystatin [INN:BAN:JAN]; (1S,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E)-33-[(3-amino-3,6-dideoxy-a-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid; (1S,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E)-33-[(3-amino-3,6-dideoxy-alpha-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid; (4E,6E,8E,10E,14E,16E)-3-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,29,32,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,14,16-hexaene-38-carboxylic acid; (4E,6E,8E,10E,14E,16E,18S,19R,20R,21S,35S)-3-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,29,32,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,14,16-hexaene-38-carboxylic acid; (4E,6E,8E,10E,14E,16E,18S,19R,21S,35S)-3-[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-19,25,27,29,32,33,35,37-octahydroxy-18,20,21-trimethyl-23-oxo-22,39-dioxabicyclo[33.3.1]nonatriaconta-4,6,8,10,14,16-hexaene-38-carboxylic acid
Indication
Disease Entry ICD 11 Status REF
Fungal infection 1F29-1F2F Approved [1]
Therapeutic Class
Antifungal Agents
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 926.1
Topological Polar Surface Area (xlogp) -0.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 12
Hydrogen Bond Acceptor Count (hbondacc) 18
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability [2]
Metabolism
The drug is not metabolised [3]
Water Solubility
The ability of drug to dissolve in water is measured as 4 mg/mL [2]
Chemical Identifiers
Formula
C47H75NO17
IUPAC Name
(1S,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E)-33-[(2S,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid
Canonical SMILES
C[C@H]1/C=C/C=C/CC/C=C/C=C/C=C/C=C/C(CC2C(C(C[C@](O2)(CC(C(CCC(CC(CC(CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)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
InChIKey
VQOXZBDYSJBXMA-RKEBNKJGSA-N
Cross-matching ID
PubChem CID
6433272
ChEBI ID
CHEBI:473992
CAS Number
1400-61-9
DrugBank ID
DB00646
TTD ID
D08XAC
VARIDT ID
DR00957
ACDINA ID
D00481

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fungal Cell membrane ergosterol (Fung CME) TTQKWA4 NOUNIPROTAC Modulator [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG
DIG Name DIG ID PubChem CID Functional Classification
Allura red AC dye E00338 33258 Colorant
FD&C blue no. 2 E00446 2723854 Colorant
Isopropyl alcohol E00070 3776 Antimicrobial preservative; Solvent
Quinoline yellow WS E00309 24671 Colorant
Stearic acid E00079 5281 Emulsifying agent; Solubilizing agent; Viscosity-controlling agent; lubricant
Sunset yellow FCF E00255 17730 Colorant
Beta-D-lactose E00099 6134 Diluent; Dry powder inhaler carrier; Lyophilization aid
Calcium hydrogenphosphate E00294 24441 Diluent
Magnesium stearate E00208 11177 lubricant
Polyethylene glycol 400 E00653 Not Available Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Polysorbate 80 E00665 Not Available Dispersing agent; Emollient; Emulsifying agent; Plasticizing agent; Solubilizing agent; Surfactant; Suspending agent
Povidone E00667 Not Available Binding agent; Coating agent; Disintegrant; Film/membrane-forming agent; Solubilizing agent; Suspending agent
Saccharose E00091 5988 Binding agent; Coating agent; Cryoprotectant; Diluent; Flavoring agent; Suspending agent; Viscosity-controlling agent
Talc E00520 16211421 Anticaking agent; Diluent; Glidant; lubricant
Titanium dioxide E00322 26042 Coating agent; Colorant; Opacifying agent
Water E00035 962 Solvent
⏷ Show the Full List of 16 Pharmaceutical Excipients of This Drug
Pharmaceutical Formulation
Formulation Name Drug Dosage Dosage Form Route
Nystatin 500000 unt tablet 500000 unt Oral Tablet Oral
Jump to Detail Pharmaceutical Formulation Page of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (ANDA) 062124.
2 BDDCS applied to over 900 drugs
3 FDA Approved Drug Products: Nystatin oral suspension
4 Cholesterol and Ergosterol Influence Nystatin Surface Aggregation: Relation to Pore Formation
5 Comparative molecular dynamics simulations of amphotericin B-cholesterol/ergosterol membrane channels. Biochim Biophys Acta. 2002 Dec 23;1567(1-2):63-78.
6 Mode of Action of the Polyene Antibiotic Candicidin: Binding Factors in the Wall of Candida albicans