AVAPRITINIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H27FN10
Molecular Weight	498.558
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CN1C=C(C=N1)C2=CN3N=CN=C(N4CCN(CC4)C5=NC=C(C=N5)[C@@](C)(N)C6=CC=C(F)C=C6)C3=C2

InChI

InChIKey=DWYRIWUZIJHQKQ-SANMLTNESA-N

InChI=1S/C26H27FN10/c1-26(28,20-3-5-22(27)6-4-20)21-13-29-25(30-14-21)36-9-7-35(8-10-36)24-23-11-18(16-37(23)33-17-31-24)19-12-32-34(2)15-19/h3-6,11-17H,7-10,28H2,1-2H3/t26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H27FN10
Molecular Weight	498.558
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical
Record UNII	513P80B4YJ
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

AVAPRITINIB

Official Name

English

X-720776

Code

English

AYVAKIT

Brand Name

English

70C366

Code

English

AVAPRITINIB [MI]

Common Name

English

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Classification Tree

Code System

Code

Designated/Approved

FDA ORPHAN DRUG

506515

Positive

EU-Orphan Drug

EU/3/18/2074

Designated/Approved

FDA ORPHAN DRUG

500415

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Code System

Code

Type

Description

CAS

1703793-34-3

PRIMARY

WIKIPEDIA

Avapritinib

PRIMARY

PUBCHEM

118023034

PRIMARY

EPA CompTox

DTXSID301027935

PRIMARY

DAILYMED

513P80B4YJ

PRIMARY

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Related Record

Type

Details


					SEV29N8JND

POTASSIUM VOLTAGE-GATED CHANNEL SUBFAMILY H MEMBER 2

OFF-TARGET->INHIBITOR

Comments:

>100× the free mean maximum plasma concentration at steady state [Cmax,ss] of 0.022 µM at the MTD in humans of 400 mg QD

Qualification:

IC50

Amount:

2.4 MICROMOLAR (average)


					PUO0521HZV

CYTOCHROME P450 3A4

METABOLIC ENZYME -> INDUCER

Comments:

In vitro, avapritinib is a time-dependent inhibitor as well as an inducer of CYP3A.


					513P80B4YJ

AVAPRITINIB

EXCRETED UNCHANGED

Comments:

Following a single oral dose of approximately 310 mg of radiolabeled avapritinib to healthy subjects

Interaction Type:

AMOUNT EXCRETED

Qualification:

URINE

Amount:

0.23 % (average)


					L9DP834D1P

CYTOCHROME P450 2C9

METABOLIC ENZYME -> INHIBITOR


					513P80B4YJ

AVAPRITINIB

EXCRETED UNCHANGED

Comments:

Following a single oral dose of approximately 310 mg of radiolabeled avapritinib to healthy subjects

Interaction Type:

AMOUNT EXCRETED

Qualification:

FECAL

Amount:

11 % (average)

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Type

Details


					513P80B4YJ

AVAPRITINIB

ACTIVE MOIETY

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Name	Property Type	Amount	Parameters
Tmax	PHARMACOKINETIC	[2 to 4.1] hours (average)	SINGLE DOSE ADMINISTRATION

blood-to-plasma ratio	PHARMACOKINETIC	0.95 (average)

Biological Half-life	PHARMACOKINETIC	[32 to 57] hours (average)	SINGLE DOSE ADMINISTRATION

Volume of Distribution	PHARMACOKINETIC	1200 LITERS (average)