MICAFUNGIN

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C56H71N9O23S
Molecular Weight	1270.274
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of MICAFUNGIN

Structure Search

SMILES

[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]3([H])[C@@H](O)[C@@H](C)CN3C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)C4=CC(OS(O)(=O)=O)=C(O)C=C4)[C@H](O)CC(N)=O)NC(=O)C5=CC=C(C=C5)C6=NOC(=C6)C7=CC=C(OCCCCC)C=C7)[C@@H](C)O

InChI

InChIKey=PIEUQSKUWLMALL-YABMTYFHSA-N

InChI=1S/C56H71N9O23S/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)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C56H71N9O23S
Molecular Weight	1270.274
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	15 / 15
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:23:28 UTC 2023` Edited by `admin` on `Sat Dec 16 16:23:28 UTC 2023`
Record UNII	R10H71BSWG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MICAFUNGIN

Official Name

English

MICAFUNGIN [JAN]

Common Name

English

MICAFUNGIN [MI]

Common Name

English

Micafungin [WHO-DD]

Common Name

English

PNEUMOCANDIN A0, 1-((4R,5R)-4,5-DIHYDROXY-N(SUP 2)-(4-(5-(4-(PENTYLOXY)PHENYL)-3-ISOXAZOLYL)BENZOYL)-L-ORNITHINE)-4-((4S)-4-HYDROXY-4-(4-HYDROXY-3-(SULFOOXY)PHENYL)-L-THREONINE)-

Common Name

English

MICAFUNGIN [EMA EPAR]

Common Name

English

MICAFUNGIN [VANDF]

Common Name

English

micafungin [INN]

Common Name

English

Classification Tree Code System Code

LIVERTOX

634

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

WHO-ATC

J02AX05

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

NDF-RT

N0000175508

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

WHO-VATC

QJ02AX05

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

NCI_THESAURUS

C514

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

NDF-RT

N0000175508

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

NDF-RT

N0000175507

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

Code System Code Type Description

DAILYMED

R10H71BSWG

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

MESH

C121905

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

SMS_ID

100000091615

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

ChEMBL

CHEMBL457547

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

CAS

235114-32-6

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

DRUG CENTRAL

1798

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

CHEBI

600520

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

MERCK INDEX

m7524

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

Merck Index

INN

8069

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

RXCUI

325887

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

RxNorm

DRUG BANK

DB01141

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

EPA CompTox

DTXSID90873341

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

NCI_THESAURUS

C1850

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

FDA UNII

R10H71BSWG

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

PUBCHEM

477468

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

WIKIPEDIA

MICAFUNGIN

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

EVMPD

SUB16444MIG

Created by admin on Sat Dec 16 16:23:28 UTC 2023 , Edited by admin on Sat Dec 16 16:23:28 UTC 2023

PRIMARY

Related Record Type Details


					R8QS8RE925

MICAFUNGIN SODIUM DIHYDRATE

SALT/SOLVATE -> PARENT

Amount:


					IS1UP79R56

MICAFUNGIN SODIUM

SALT/SOLVATE -> PARENT


					6D53G0FD0Z

PLASMA PROTEIN FRACTION (HUMAN)

BINDER->LIGAND

Comments:

When detennined in human plasma samples following a single dose of micafungin I00 mg, micafungin binding to plasma protein were approximately 99.8%. Micafungin protein binding in

Interaction Type:

BINDING

Amount:

Related Record Type Details


					EVG3RH3PD5

O-DESULFO METHYL MICAFUNGIN

METABOLITE -> PARENT

Interaction Type:

MINOR


					VP4WA4H3TB

DESPENTYL-(.OMEGA.-1)-HYDROXYPENTYL MICAFUNGIN

METABOLITE -> PARENT


					J95YY85R52

O-DESULFO MICAFUNGIN

METABOLITE -> PARENT

Comments:

Activity Questionable (inactive in http://onlinelibrary.wiley.com/doi/10.1592/phco.27.1.53/epdf). However, not important in theraphy as concentration is low. Mediator: arylsulfatase

Qualification:

PLASMA


					VP4WA4H3TB

DESPENTYL-(.OMEGA.-1)-HYDROXYPENTYL MICAFUNGIN

METABOLITE -> PARENT

Comments:

Probably inactive. Mediator: P450 (CYP) isozymes, but not a major pathway for micafungin metabolism in vivo

Qualification:

PLASMA

Related Record Type Details


					R10H71BSWG

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC				Population PHARMACOKINETIC Population PHARMACOKINETIC