General Information of the Compound
Compound ID
CP0014077
Compound Name
2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure
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Synonyms
1A Brand of Gemfibrozil
2,2-Dimethyl-5-(2,5-dimethylphenoxy)pentanoic acid
2,2-Dimethyl-5-(2,5-dimethylphenoxy)valeriansaeure
2,2-Dimethyl-5-(2,5-xylyloxy)valeriansaeure
2,2-Dimethyl-5-(2,5-xylyloxy)valeric acid
5-(2,5-Dimethyl-Phenoxy)-2,2-Dimethyl-Pentanoic Acid
5-(2,5-Dimethylphenoxy)-2,2-dimethylpentanoic acid
5-[(2,5-dimethylphenyl)oxy]-2,2-dimethylpentanoic acid
Alphapharm Brand of Gemfibrozil
Apo Gemfibrozil
Apo-Gemfibrozil
ApoGemfibrozil
Apotex Brand of Gemfibrozil
Ausgem
Bayvit Brand of Gemfibrozil
Bayvit, Gemfibrozilo
Bexal Brand of Gemfibrozil
Biochemie Brand of Gemfibrozil
Bolutol
Brozil
Bull Brand of Gemfibrozil
CI719
Cantabria Brand of Gemfibrozil
Chem mart Brand of Gemfibrozil
Chem mart Gemfibrozil
Cholespid
Clearol
DBL Gemfibrozil
Decrelip
Douglas Brand of Gemfibrozil
Elmogan
Farmasierra Brand of Gemfibrozil
Faulding Brand of Gemfibrozil;Ferrer Brand of Gemfibrozil
Fetinor
Fibratol
Fibrocit
GEMFIBROZIL (SEE ALSO PEROXISOME PROJECT (GEMFIBROZIL))
GFZ
Gem-S
Gemcor, Lopid, Jezil,Gen-Fibro, Gemfibrozil
Gemd
Gemfi 1A Pharma
Gemfibril
Gemfibromax
Gemfibrosil
Gemfibrozil
Gemfibrozil (JAN/USP/INN)
Gemfibrozil [USAN:BAN:INN]
Gemfibrozil, GenRX
Gemfibrozil, Healthsense
Gemfibrozil, SBPA
Gemfibrozilo
Gemfibrozilo Bayvit
Gemfibrozilo Bexal
Gemfibrozilo Ur
Gemfibrozilo [INN-Spanish]
Gemfibrozilum
Gemfibrozilum [INN-Latin]
Gemhexal
Gemlipid
Gemnpid
Gen Gemfibrozil
Gen-Fibro (TN)
Gen-Fibro;Gen-Gemfibrozil
GenGemfibrozil
GenRX Gemfibrozil
Genlip
Genpharm Brand of Gemfibrozil
Gevilon Uno
Gozid
Healthsense Brand of Gemfibrozil
Healthsense Gemfibrozil
Hexal Brand of Gemfibrozil
Hidil
Hipolixan
Innogem
Innogen
Ipolipid
Ipsen Brand of Gemfibrozil
Jezil
Jezil (TN)
Lanaterom
Lifibron
Lipazil
Lipigem
Lipira
Lipizyl
Lipox Gemfi
Lipozid
Lipur
Litarek
Lopid
Lopid (TN)
Lopid R
Low-Lip
Menarini Brand of Gemfibrozil
Micolip
Normolip
Novo Gemfibrozil
Novo-Gemfibrozil
Novopharm Brand of Gemfibrozil
Nu Gemfibrozil
Nu Pharm Brand of Gemfibrozil
Nu-Gemfibrozil
Nu-Pharm Brand of Gemfibrozil
NuGemfibrozil
PEROXISOME PROJECT (GEMFIBROZIL) (SEE ALSO GEMFIBROZIL)
PMS Gemfibrozil
PMS-Gemfibrozil
Parke Davis Brand of Gemfibrozil
Pfizer Brand of Gemfibrozil
Pharmascience Brand of Gemfibrozil
Pilder
Polyxit
Progemzal
Quimifar Brand of Gemfibrozil
Reducel
Regulip
Renabrazin
SBPA Gemfibrozil
Sigma Brand of Gemfibrozil
Sinelip
Synbrozil
TAD Brand of Gemfibrozil
TEVA-A
Taborcil
Tentroc
Terry White Chemists Brand of Gemfibrozil
Terry White Chemists Gemfibrozil
Trialmin
United Drug Brand of Gemfibrozil
WL-Gemfibrozil
Warner Lambert Brand of Gemfibrozil
Warner-Lambert Brand of Gemfibrozil
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Structure
Formula
C15H22O3
Molecular Weight
250.338
Canonical SMILES
Cc1ccc(C)c(OCCCC(C)(C)C(O)=O)c1
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InChI
InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
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InChIKey
HEMJJKBWTPKOJG-UHFFFAOYSA-N
CAS
25812-30-0
Physicochemical Property
logP
3.57324
Rotatable Bonds
6
Heavy Atom Count
18
Polar Areas
46.53
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3463
SID: 12013353
ChEMBL ID
CHEMBL457
DrugBank ID
DB01241
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 562.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT00910, Peroxisome proliferator-activated receptor alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 11800 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 59000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  1
1
EC50 = 68400 nM
   TI
   LI
   LO
   TS
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 4073.8 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 11000 nM
   TI
   LI
   LO
   TS
2
IC50 = 38000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 7079.46 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Gemfibrozil )
Drug Name Gemfibrozil
Company Pfizer Pharmaceuticals
Indication
Hyperlipidaemia
Approved
Target(s)
Lipoprotein lipase (LPL)
Activator