MK-886

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H34ClNO2S
Molecular Weight	472.082
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CC(C)C1=CC=C2N(CC3=CC=C(Cl)C=C3)C(CC(C)(C)C(O)=O)=C(SC(C)(C)C)C2=C1

InChI

InChIKey=QAOAOVKBIIKRNL-UHFFFAOYSA-N

InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula	C27H34ClNO2S
Molecular Weight	472.082
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Arachidonate 5-lipoxygenase-activating protein 3	Inhibitor 8,297
Arachidonate 5-lipoxygenase-activating protein 3	Inhibitor 8,297

C_max

Value	Dose	Analyte	Population
1132 ng/mL	100 mg 3 times / day multiple, oral	MK-886 plasma	Homo sapiens
1503 ng/mL	100 mg 3 times / day steady-state, oral	MK-886 plasma	Homo sapiens
2205 ng/mL	200 mg 3 times / day multiple, oral	MK-886 plasma	Homo sapiens
3022 ng/mL	200 mg 3 times / day steady-state, oral	MK-886 plasma	Homo sapiens

AUC

Value	Dose	Analyte	Population
4187 ng × h/mL	100 mg 3 times / day multiple, oral	MK-886 plasma	Homo sapiens
6012 ng × h/mL	100 mg 3 times / day steady-state, oral	MK-886 plasma	Homo sapiens
9057 ng × h/mL	200 mg 3 times / day multiple, oral	MK-886 plasma	Homo sapiens
13085 ng × h/mL	200 mg 3 times / day steady-state, oral	MK-886 plasma	Homo sapiens

T_1/2

Value	Dose	Co-administered	Analyte	Population
4.7 h	100 mg 3 times / day multiple, oral		MK-886 plasma	Homo sapiens

Substance Class	Chemical
Record UNII	080626SQ8C
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MK-886

Common Name

English

MK886

Code

English

CGS-81585

Code

English

J328.555C

Code

English

1-((4-CHLOROPHENYL)METHYL)-3-((1,1-DIMETHYLETHYL)THIO)-.ALPHA.,.ALPHA.-DIMETHYL-5-(1-METHYLETHYL)-1H-INDOLE-2-PROPANOIC ACID

Systematic Name

English

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Code System

Code

Type

Description

WIKIPEDIA

L 663536

PRIMARY

CHEBI

75390

PRIMARY

EPA CompTox

DTXSID5041067

PRIMARY

PUBCHEM

3651377

PRIMARY

CAS

118414-82-7

PRIMARY

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Related Record

Type

Details


					H539088K42

MK-886 SODIUM MONOHYDRATE

SALT/SOLVATE -> PARENT


					PNR27O326B

MK886 SODIUM

SALT/SOLVATE -> PARENT

Showing 1 to 2 of 2 entries

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SMILES

InChI

Approval Year

Targets

Cmax

AUC

T1/2

C_max

T_1/2