FIDAXOMICIN

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H74Cl2O18
Molecular Weight	1058.039
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of FIDAXOMICIN

Structure Search

SMILES

[H][C@@]4(O[C@@H]1[C@@H](CC)\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]2O[C@H](C)[C@@H](OC(=O)C3=C(CC)C(Cl)=C(O)C(Cl)=C3O)[C@H](O)[C@@H]2OC)\C(=O)O[C@@H](C\C=C(C)\C=C1/C)[C@@H](C)O)OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]4O

InChI

InChIKey=ZVGNESXIJDCBKN-UUEYKCAUSA-N

InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3/b16-15+,25-19+,26-22+,27-21+,31-17+/t28-,29-,30+,33+,34+,40-,41+,42+,43+,44-,45+,46+,50-,51-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C52H74Cl2O18
Molecular Weight	1058.039
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:14:54 UTC 2023` Edited by `admin` on `Fri Dec 15 16:14:54 UTC 2023`
Record UNII	Z5N076G8YQ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

FIDAXOMICIN

Official Name

English

Fidaxomicin [WHO-DD]

Common Name

English

DIFICID

Brand Name

English

OPT-80

Code

English

FIDAXOMICIN [USAN]

Common Name

English

fidaxomicin [INN]

Common Name

English

FIDAXOMICIN [ORANGE BOOK]

Common Name

English

PAR-101

Code

English

FIDAXOMICIN [VANDF]

Common Name

English

FIDAXOMICIN [JAN]

Common Name

English

FIDAXOMICIN [MI]

Common Name

English

Classification Tree Code System Code

WHO-ATC

A07AA12

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

FDA ORPHAN DRUG

325210

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

NDF-RT

N0000175431

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

NCI_THESAURUS

C261

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

WHO-VATC

QA07AA12

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

LIVERTOX

NBK548928

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

Code System Code Type Description

MERCK INDEX

m5378

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

Merck Index

DRUG CENTRAL

4180

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

FDA UNII

Z5N076G8YQ

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

LACTMED

Fidaxomicin

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

DAILYMED

Z5N076G8YQ

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

CAS

873857-62-6

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

CHEBI

68590

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

EVMPD

SUB31455

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

USAN

TT-86

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

RXCUI

1111103

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

RxNorm

WIKIPEDIA

FIDAXOMICIN

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

SMS_ID

100000124127

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

PUBCHEM

10034073

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

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DRUG BANK

DB08874

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

INN

9038

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

ChEMBL

CHEMBL1255800

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

EPA CompTox

DTXSID90101641

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

NCI_THESAURUS

C66979

Created by admin on Fri Dec 15 16:14:54 UTC 2023 , Edited by admin on Fri Dec 15 16:14:54 UTC 2023

PRIMARY

Related Record Type Details


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE


					Z5N076G8YQ

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					081I12ZA58

CYTOCHROME P450 2C19

METABOLIC ENZYME -> INHIBITOR

Qualification:

IC50

Amount:


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> INHIBITOR

Qualification:

IC50

Amount:


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> INHIBITOR

Comments:

Fidaxomicin and OP-1118 exhibited inhibitory potential for prominent intestinal CYP isoenzymes (CYP3A4, CYP2C9, and CYP2C19) in in vitro studies with human liver microsomes, based on estimated intestinal concentrations (fidaxomicin [I]2, 800 μg/mL).

Qualification:

IC50

Amount:


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> INHIBITOR

Comments:

Fidaxomicin and OP-1118 exhibited inhibitory potential for prominent intestinal CYP isoenzymes (CYP3A4, CYP2C9, and CYP2C19) in in vitro studies with human liver microsomes, based on estimated intestinal concentrations (fidaxomicin [I]2, 800 μg/mL).

Qualification:

IC50

Amount:


					Z5N076G8YQ

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					PJX89V9R6N

CLOSTRIDIUM DIFFICILE

TARGET ORGANISM->INHIBITOR

Related Record Type Details


					J4D0XQ65KI

OP-1118

METABOLITE ACTIVE -> PARENT


					J4D0XQ65KI

OP-1118

METABOLITE LESS ACTIVE -> PARENT

Related Record Type Details


					Z5N076G8YQ

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Tmax	PHARMACOKINETIC				SINGLE DOSE

Biological Half-life	PHARMACOKINETIC