NATAMYCIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC A01AB10 A07AA03 D01AA02 G01AA02 S01AA10
UNII 8O0C852CPO

Structure

InChI Key NCXMLFZGDNKEPB-FFPOYIOWSA-N
Smiles C[C@@H]1C/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[C@H]3O[C@@H]3/C=C/C(=O)O1)C[C@H](O)[C@H]2C(=O)O
InChI
InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32+,33-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C33H47NO13
Molecular Weight 665.73
AlogP 0.12
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 3.0
Polar Surface Area 230.99
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 47.0

Pharmacology

Mechanism of Action Action Reference
Ergosterol sequestering agent SEQUESTERING AGENT PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - -8.59--4.37
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Electrophorus electricus
- - - -
Equus caballus
- - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL1200656
DrugBank DB00826
DrugCentral 1885
FDA SRS 8O0C852CPO
PubChem 5284447
SureChEMBL SCHEMBL18140
ZINC ZINC000008220909
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