MICAFUNGIN SODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (2005)
Entry Type: Small molecule
Molecule Category: Salt
UNII: IS1UP79R56
Parent Compound: MICAFUNGIN

Structure
InChI Key KOOAFHGJVIVFMZ-WZPXRXMFSA-M
Smile CCCCCOc1ccc(-c2cc(-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](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c5ccc(O)c(OS(=O)(=O)[O-])c5)NC(=O)[C@@H]5C[C@@H](O)CN5C(=O)[C@H]([C@@H](C)O)NC4=O)cc3)no2)cc1.[Na+]
InChI
InChI=1S/C56H71N9O23S.Na/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76;/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85);/q;+1/p-1/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C56H70N9NaO23S
Molecular Weight 1292.27
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
INHIBITOR 1,3-beta-glucan synthase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 66.16
Unclassified protein
- - - - 66.16

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Aspergillosis 3 D001228 ClinicalTrials
Mycoses 3 D009181 ClinicalTrials
Hematologic Diseases 2 D006402 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Injury, poisoning and procedural complications
21.28
General disorders and administration site conditions
13.16
Infections and infestations
12.75
Respiratory, thoracic and mediastinal disorders
7.36
Investigations
6.07
Gastrointestinal disorders
5.71
Vascular disorders
5.17
Blood and lymphatic system disorders
4.31
Nervous system disorders
3.63
Cardiac disorders
3.46
Metabolism and nutrition disorders
3.1
Skin and subcutaneous tissue disorders
2.52
Renal and urinary disorders
2.46
Hepatobiliary disorders
2.08

Cross References

Resources Reference
ChEBI 80105
ChEMBL CHEMBL1237070
FDA SRS IS1UP79R56
KEGG C15819
PubChem 23666118
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