Compound Summary
MK-886
Compound Information
MK-886
Compound Name: | MK-886 |
Compound CID: | 3651377 |
Synonyms: | MK-886 118414-82-7 MK 886 MK886 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid More... |
Iupac Name: | 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid |
InChI: | 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) |
InChIKey: | QAOAOVKBIIKRNL-UHFFFAOYSA-N |
Canonical Smiles: | CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl |
Isomeric Smiles: | CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=C(C=C3)Cl |
Molecular Weight: | 472.1 |
Molecular Formula: | C27H34ClNO2S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
MK-886
Molecular Weight: | 472.1 |
Molecular Formula: | C27H34ClNO2S |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 3 |
Rotatable Bond Count: | 8 |
Heavy Atom Count: | 32 |
Complexity: | 638 |
Synonyms
MK-886
| MK-886 | MK-886 |
|---|---|
MK-886 |
118414-82-7 |
MK 886 |
MK886 |
3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid |
3-3-tert-butylsulfanyl-1-(4-chlorophenyl)methyl-5-propan-2-ylindol-2-yl-2,2-dimethylpropanoic acid |
L 663536 |
UNII-080626SQ8C |
L-663,536 |
CHEMBL29097 |
CHEBI:75390 |
080626SQ8C |
3-3-(tert-butylsulfanyl)-1-(4-chlorophenyl)methyl-5-(propan-2-yl)-1H-indol-2-yl-2,2-dimethylpropanoic acid |
1H-Indole-2-propanoic acid, 1-(4-chlorophenyl)methyl-3-(1,1-dimethylethyl)thio-Alpha,Alpha-dimethyl-5-(1-methylethyl)- CAS |
3-3-butylsulfanyl-1-(4-chlorophenyl)methyl-5-propan-2-ylindol-2-yl-2,2-dimethylpropanoic acid |
MK-886 (L-663,536) |
L-663536 |
3-3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-(propan-2-yl)-1H-indol-2-yl-2,2-dimethylpropanoic acid |
3-3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl-2,2-dimethyl-propionic acid |
SMR000466278 |
SR-01000076049 |
NCGC00025106-01 |
Tocris-1311 |
Curator_000017 |
3-(1-(4-Chlorobenzyl)-3-t-butylthio-5-isopropylindol-2-yl)-2,2-dimethylpropanoic acid |
Lopac0_000774 |
cc-719 |
MLS000758280 |
MLS001424151 |
SCHEMBL503001 |
GTPL2655 |
DTXSID5041067 |
cid_3651377 |
EX-A127 |
HMS2051N18 |
HMS3393N18 |
HMS3742O07 |
BCP06501 |
ZINC1536875 |
BDBM50006805 |
MFCD00876710 |
NSC736463 |
s8236 |
AKOS022178156 |
CCG-101053 |
CS-5755 |
NC00303 |
NSC-736463 |
SB19084 |
SDCCGSBI-0050752.P002 |
NCGC00025106-02 |
1-((4-Chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(1-methylethyl)-1H-indole-2-propanoic acid |
AC-31484 |
AM808017 |
AS-74991 |
DA-47545 |
HY-14166 |
B6684 |
FT-0628956 |
A893175 |
SR-01000076049-3 |
Q27086912 |
3-1-(4-chlorobenzyl)-3-t-butyl-thio-5-isopropylindol-2-yl-2,2-dimethylpropanoic acid |
1-(p Chlorobenzyl)-3-(t-butylthio)-alpha,alpha-dimethyl-5-(i-propyl)-indole-2-propanoic acid |
1-(p-Chlorobenzyl)-3-(t-butylthio)-alpha,alpha-dimethyl -5-(i-propyl)-indole-2-propanoic acid |
1-(4-Chlorophenyl)methyl-3-(1,1-dimethylethyl)thio- a,a-dimethyl-5-(1-methylethyl)-1H-Indole-2-propanoic acid |
1-(4-Chlorophenyl)methyl-3-(1,1-dimethylethyl)thio-.alpha.,.alpha.- dimethyl-5-(1-methylethyl)-1H-indole-2-propanoic acid |
1-(4-Chlorophenyl)methyl-3-(1,1-dimethylethyl)thio-?,?-dimethyl-5-(1-methylethyl)-1H-Indole-2-propanoic acid |
1H-Indole-2-propanoic acid, 1-((4-chlorophenyl)methyl)-3-((1,1-dimethylethyl)thio)-alpha,alpha-dimethyl-5-(1-methylethyl)- |
1H-Indole-2-propanoic acid,1-(4-chlorophenyl)methyl-3-(1,1-dimethylethyl)thio-a,a-dimethyl-5-(1-methylethyl)- |
3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid |
3-3-(tert-butylsulfanyl)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl-2,2-dimethylpropanoic acid |
3-3-tert-butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indoi-2-yl-2,2-dimethyl-propionic acid |
QY7 |
Experimental Data
MK-886
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | 4.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
MK-886
Statistics Data
MK-886
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 4.000000000000000 | 1 | 1 |
Statistics Data Visualization
MK-886
