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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
Structure of MK-886

SMILES

CC(C)C1=CC2=C(C=C1)N(CC3=CC=C(Cl)C=C3)C(CC(C)(C)C(O)=O)=C2SC(C)(C)C

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
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 23:39:11 GMT 2025
Edited
by admin
on Mon Mar 31 23:39:11 GMT 2025
Record UNII
080626SQ8C
Record Status Validated (UNII)
Record Version
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Name Type Language
CGS-81585
Preferred Name English
MK-886
Common Name English
MK886
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
3-(1-(4-CHLOROBENZYL)-3-T-BUTYL-THIO-5-ISOPROPYLINDOL-2-YL)-2,2-DIMETHYLPROPANOIC ACID
Common Name English
1H-INDOLE-2-PROPANOIC ACID, 1-((4-CHLOROPHENYL)METHYL)-3-((1,1-DIMETHYLETHYL)THIO)-.ALPHA.,.ALPHA.-DIMETHYL-5-(1-METHYLETHYL)-
Systematic Name English
L-663536
Code English
L-663,536
Code English
Code System Code Type Description
WIKIPEDIA
L 663536
Created by admin on Mon Mar 31 23:39:11 GMT 2025 , Edited by admin on Mon Mar 31 23:39:11 GMT 2025
PRIMARY
CHEBI
75390
Created by admin on Mon Mar 31 23:39:11 GMT 2025 , Edited by admin on Mon Mar 31 23:39:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID5041067
Created by admin on Mon Mar 31 23:39:11 GMT 2025 , Edited by admin on Mon Mar 31 23:39:11 GMT 2025
PRIMARY
PUBCHEM
3651377
Created by admin on Mon Mar 31 23:39:11 GMT 2025 , Edited by admin on Mon Mar 31 23:39:11 GMT 2025
PRIMARY
CAS
118414-82-7
Created by admin on Mon Mar 31 23:39:11 GMT 2025 , Edited by admin on Mon Mar 31 23:39:11 GMT 2025
PRIMARY
FDA UNII
080626SQ8C
Created by admin on Mon Mar 31 23:39:11 GMT 2025 , Edited by admin on Mon Mar 31 23:39:11 GMT 2025
PRIMARY
Related Record Type Details
Structure of MK-886 SODIUM MONOHYDRATE
SALT/SOLVATE -> PARENT
Structure of MK886 SODIUM
SALT/SOLVATE -> PARENT
NIH
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