Avutometinib

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H18FN5O5S
Molecular Weight	471.462
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CNS(=O)(=O)NC1=C(F)C(CC2=C(C)C3=C(OC2=O)C=C(OC4=NC=CC=N4)C=C3)=CC=N1

InChI

InChIKey=LMMJFBMMJUMSJS-UHFFFAOYSA-N

InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27)

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary Target	Pharmacology	Potency
Dual specificity mitogen-activated protein kinase kinase 1 20	Inhibitor 8,504	0.16 µM [IC50]
Serine/threonine-protein kinase RAF 11	Inhibitor 8,504	0.056 µM [IC50]
Serine/threonine-protein kinase B-raf 21	Inhibitor 8,504	0.019 µM [IC50]

C_max

Value	Dose	Analyte	Population
58.4 ng/mL	0.8 mg single, oral	RO5126766 plasma	Homo sapiens
77.7 ng/mL	1.2 mg single, oral	RO5126766 plasma	Homo sapiens
128 ng/mL	1.8 mg single, oral	RO5126766 plasma	Homo sapiens
171 ng/mL	2.25 mg single, oral	RO5126766 plasma	Homo sapiens
148 ng/mL	0.8 mg 1 times / day multiple, oral	RO5126766 plasma	Homo sapiens
355 ng/mL	1.2 mg 1 times / day multiple, oral	RO5126766 plasma	Homo sapiens
430 ng/mL	1.8 mg 1 times / day multiple, oral	RO5126766 plasma	Homo sapiens
618 ng/mL	2.25 mg 1 times / day multiple, oral	RO5126766 plasma	Homo sapiens

AUC

Value	Dose	Analyte	Population
2610 ng × h/mL	0.8 mg single, oral	RO5126766 plasma	Homo sapiens
7940 ng × h/mL	1.2 mg single, oral	RO5126766 plasma	Homo sapiens
8490 ng × h/mL	1.8 mg single, oral	RO5126766 plasma	Homo sapiens
9970 ng × h/mL	2.25 mg single, oral	RO5126766 plasma	Homo sapiens
10400 ng × h/mL	0.8 mg 1 times / day multiple, oral	RO5126766 plasma	Homo sapiens
33400 ng × h/mL	1.2 mg 1 times / day multiple, oral	RO5126766 plasma	Homo sapiens
25700 ng × h/mL	1.8 mg 1 times / day multiple, oral	RO5126766 plasma	Homo sapiens
37000 ng × h/mL	2.25 mg 1 times / day multiple, oral	RO5126766 plasma	Homo sapiens

T_1/2

Value	Dose	Analyte	Population
47.6 h	0.8 mg single, oral	RO5126766 plasma	Homo sapiens
93.7 h	1.2 mg single, oral	RO5126766 plasma	Homo sapiens
59.9 h	1.8 mg single, oral	RO5126766 plasma	Homo sapiens
62.4 h	2.25 mg single, oral	RO5126766 plasma	Homo sapiens
68.5 h	0.8 mg 1 times / day multiple, oral	RO5126766 plasma	Homo sapiens
86.4 h	1.2 mg 1 times / day multiple, oral	RO5126766 plasma	Homo sapiens
52.7 h	1.8 mg 1 times / day multiple, oral	RO5126766 plasma	Homo sapiens
45.8 h	2.25 mg 1 times / day multiple, oral	RO5126766 plasma	Homo sapiens

PubMed

Title	Date	PubMed
MEK and the inhibitors: from bench to bedside.	2013 Apr 12	23587417

Patents

Show entries

Name

Type

Language

Sulfamide, N-[3-fluoro-4-[[4-methyl-2-oxo-7-(2-pyrimidinyloxy)-2H-1-benzopyran-3-yl]methyl]-2-pyridinyl]-N?-methyl-

Preferred Name

English

Avutometinib

Official Name

English

R-7304

Code

English

N-[3-fluoro-4-({4-methyl-2-oxo-7-[(pyrimidin-2-yl)oxy]-2H-1-benzopyran-3-yl}methyl)pyridin-2-yl]-N?-methylsulfuric diamide

Systematic Name

English

CKI-27

Code

English

Showing 1 to 5 of 14 entries

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Code System

Code

Type

Description

DRUG BANK

DB15254

PRIMARY

USAN

LM-17

PRIMARY

PUBCHEM

16719221

PRIMARY

ChEMBL

CHEMBL3545081

PRIMARY

FDA UNII

D0D4252V97

PRIMARY

Showing 1 to 5 of 10 entries

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ACTIVE MOIETY


					D0D4252V97

Avutometinib

SMILES

InChI

Approval Year

Targets

Cmax

AUC

T1/2

PubMed

Patents

C_max

T_1/2