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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
Structure of MK886 SODIUM

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
Molecular Formula C27H33ClNO2S
Molecular Weight 471.074
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Arachidonate 5-lipoxygenase-activating protein
3
Target ID: P20292
Gene ID: 241.0
Gene Symbol: ALOX5AP
Target Organism: Homo sapiens (Human)
Inhibitor
8504
Arachidonate 5-lipoxygenase-activating protein
3
Target ID: P20291
Gene ID: 29624.0
Gene Symbol: Alox5ap
Target Organism: Rattus norvegicus (Rat)
Inhibitor
8504
Cmax

Cmax

ValueDoseCo-administeredAnalytePopulation
1132 ng/mL
EXPERIMENT
https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76
100 mg 3 times / day multiple, oral
dose: 100 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
MK-886 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
1503 ng/mL
EXPERIMENT
https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76
100 mg 3 times / day steady-state, oral
dose: 100 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
MK-886 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
2205 ng/mL
EXPERIMENT
https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76
200 mg 3 times / day multiple, oral
dose: 200 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
MK-886 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
3022 ng/mL
EXPERIMENT
https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76
200 mg 3 times / day steady-state, oral
dose: 200 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
MK-886 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
AUC

AUC

ValueDoseCo-administeredAnalytePopulation
4187 ng × h/mL
EXPERIMENT
https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76
100 mg 3 times / day multiple, oral
dose: 100 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
MK-886 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
6012 ng × h/mL
EXPERIMENT
https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76
100 mg 3 times / day steady-state, oral
dose: 100 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
MK-886 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
9057 ng × h/mL
EXPERIMENT
https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76
200 mg 3 times / day multiple, oral
dose: 200 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
MK-886 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
13085 ng × h/mL
EXPERIMENT
https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76
200 mg 3 times / day steady-state, oral
dose: 200 mg
route of administration: Oral
experiment type: STEADY-STATE
co-administered:
MK-886 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
T1/2

T1/2

ValueDoseCo-administeredAnalytePopulation
4.7 h
EXPERIMENT
https://ascpt.onlinelibrary.wiley.com/doi/epdf/10.1038/clpt.1993.76
100 mg 3 times / day multiple, oral
dose: 100 mg
route of administration: Oral
experiment type: MULTIPLE
co-administered:
MK-886 plasma
Homo sapiens
population: HEALTHY
age: ADULT
sex: MALE
food status: UNKNOWN
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:29:17 GMT 2025
Edited
by admin
on Mon Mar 31 22:29:17 GMT 2025
Record UNII
PNR27O326B
Record Status Validated (UNII)
Record Version
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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
Code System Code Type Description
FDA UNII
PNR27O326B
Created by admin on Mon Mar 31 22:29:17 GMT 2025 , Edited by admin on Mon Mar 31 22:29:17 GMT 2025
PRIMARY
EPA CompTox
DTXSID4040551
Created by admin on Mon Mar 31 22:29:17 GMT 2025 , Edited by admin on Mon Mar 31 22:29:17 GMT 2025
PRIMARY
PUBCHEM
4519262
Created by admin on Mon Mar 31 22:29:17 GMT 2025 , Edited by admin on Mon Mar 31 22:29:17 GMT 2025
PRIMARY
CAS
118427-55-7
Created by admin on Mon Mar 31 22:29:17 GMT 2025 , Edited by admin on Mon Mar 31 22:29:17 GMT 2025
PRIMARY
Related Record Type Details
Structure of MK-886
PARENT -> SALT/SOLVATE
NIH
NCATS
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