ANIDULAFUNGIN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC J02AX06
UNII 9HLM53094I

Structure

InChI Key JHVAMHSQVVQIOT-MFAJLEFUSA-N
Smiles CCCCCOc1ccc(-c2ccc(-c3ccc(C(=O)N[C@H]4C[C@@H](O)[C@@H](O)NC(=O)[C@@H]5[C@@H](O)[C@@H](C)CN5C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)cc5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)cc2)cc1
InChI
InChI=1S/C58H73N7O17/c1-5-6-7-24-82-40-22-18-35(19-23-40)33-10-8-32(9-11-33)34-12-14-37(15-13-34)51(74)59-41-26-43(70)54(77)63-56(79)47-48(71)29(2)27-65(47)58(81)45(31(4)67)61-55(78)46(50(73)49(72)36-16-20-38(68)21-17-36)62-53(76)42-25-39(69)28-64(42)57(80)44(30(3)66)60-52(41)75/h8-23,29-31,39,41-50,54,66-73,77H,5-7,24-28H2,1-4H3,(H,59,74)(H,60,75)(H,61,78)(H,62,76)(H,63,79)/t29-,30+,31+,39+,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,54+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C58H73N7O17
Molecular Weight 1140.25

Pharmacology

Mechanism of Action Action Reference
1,3-beta-glucan synthase inhibitor INHIBITOR DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- - - - 34.3
Enzyme Transferase
- - - - 75
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Candida albicans
- - - - 37-75
Candida glabrata
- - - - 33-62
Candida parapsilosis
- - - - 27-69
Homo sapiens
- - - - 34.3

Related Entries

Cross References

Resources Reference
ChEBI 55346
ChEMBL CHEMBL264241
DrugBank DB00362
FDA SRS 9HLM53094I
PharmGKB PA164742938
PubChem 166548
SureChEMBL SCHEMBL38292
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