MK886 SODIUM

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H33ClNO2S.Na
Molecular Weight	494.064
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

[Na+].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=CBNCIYNCWVGEKJ-UHFFFAOYSA-M

InChI=1S/C27H34ClNO2S.Na/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);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Arachidonate 5-lipoxygenase-activating protein 3	Inhibitor 8,504
Arachidonate 5-lipoxygenase-activating protein 3	Inhibitor 8,504

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

Show entries

Name

Type

Language

MK-886 SODIUM SALT

Preferred Name

English

MK886 SODIUM

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

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Show entries

Code System

Code

Type

Description

FDA UNII

PNR27O326B

PRIMARY

EPA CompTox

DTXSID4040551

PRIMARY

PUBCHEM

4519262

PRIMARY

CAS

118427-55-7

PRIMARY

Showing 1 to 4 of 4 entries

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PARENT (SALT/SOLVATE)


					080626SQ8C

MK-886

SUBSTANCE RECORD


					PNR27O326B

MK886 SODIUM

SMILES

InChI

Approval Year

Targets

Cmax

AUC

T1/2

C_max

T_1/2