General Information of the Compound
Compound ID
CP0082870
Compound Name
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
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Synonyms
(+-)-Ethyl methyl 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
(+/-)-ethylmethyl 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
1A Brand of Felodipine
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2,3-dichlorophenyl)-2,6-dimethyl-, ethyl methylester
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2,3-dichlorophenyl)-2,6-dimethyl-,ethyl methyl ester
3,5-Pyridinedicarboxylic acid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-, ethyl methyl ester
3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
4-(2,3-Dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinecarboxylic acid ethyl methyl ester
4-(2,3-dichloro-phenyl)-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-ethyl ester 5-methyl ester
4-(2,3-dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid ethyl methyl ester
5-O-ethyl 3-O-methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
AE-641/11429675
AGON SR
AbZ Brand of Felodipine
Agon
Aliud Brand of Felodipine
Alphapharm Brand of Felodipine
Alpharma Brand of Felodipine
Astra Brand of Felodipine
AstraZeneca Brand of Felodipine
Aventis Brand of Felodipine
Azupharma Brand of Felodipine
BC Brand of Felodipine
Betapharm Brand of Felodipine
CGH-869
Ct Arzneimittel Brand of Felodipine
Ct-Arzneimittel Brand of Felodipine
Dl-Felodipine
Ethyl methyl 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
F 9677
Felo Biochemie
Felo Puren
Felo-Puren
Felobeta
Felocor
Feloday
Felodipin 1A Pharma
Felodipin AL
Felodipin AZU
Felodipin AbZ
Felodipin Heumann
Felodipin Stada
Felodipin dura
Felodipin ratiopharm
Felodipin von ct
Felodipin-ratiopharm
Felodipina
Felodipina [INN-Spanish]
Felodipine
Felodipine (JAN/USP/INN)
Felodipine [USAN:BAN:INN]
Felodipine [USAN:INN:BAN]
Felodipinum
Felodipinum [INN-Latin]
Felodur
FelodurER
Felogamma
Felogard
Fensel
Flodil
H 154 82
H 154-82
H 154/82
H 15482
H-154/82
Heumann Brand of Felodipine
Heumann, Felodipin
Hexal Brand of Felodipine
Hoechst Brand of Felodipine
Hydac
Lexxel
Logimax
Merck dura Brand of Felodipine
Modip
Munobal
Munobal Retard
Penedil
Perfudal
Pharmaceutica Astra Brand of Felodipine
Pharmacia Spain Brandof Felodipine
Plandil
Plendil
Plendil (TN)
Plendil Depottab
Plendil ER
Plendil Retard
Plendil, Renedil, Feloday, Felodipine
Preslow
Prevex
Promed Brand of Felodipine
Ratiopharm Brand of Felodipine
Renedil
Splendil
Stadapharm Brand of Felodipine
TheraPharm Brand of Felodipine
Worwag Brand of Felodipine
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Structure
Formula
C18H19Cl2NO4
Molecular Weight
384.259
Canonical SMILES
CCOC(=O)C1=C(C)NC(C)=C(C1c1cccc(Cl)c1Cl)C(=O)OC
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InChI
InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8,15,21H,5H2,1-4H3
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InChIKey
RZTAMFZIAATZDJ-UHFFFAOYSA-N
CAS
72509-76-3
86189-69-7
Physicochemical Property
logP
3.9643
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
64.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 3333
SID: 12012613
ChEMBL ID
CHEMBL1480
DrugBank ID
DB01023
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: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000167 NIH-3T3-G185 Mus musculus (Mouse)  3
1
IC50 = 26300 nM
   TI
   LI
   LO
   TS
2
IC50 = 32300 nM
   TI
   LI
   LO
   TS
3
IC50 > 60000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04542, Bile salt export pump
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 69700 nM
   TI
   LI
   LO
   TS
Protein ID: PT00905, Cytochrome P450 2C9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 4579.5 nM
   TI
   LI
   LO
   TS
Protein ID: PT01552, Nuclear receptor subfamily 1 group I member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000514 DPX2 Homo sapiens (Human)  2
1
EC50 = 1900 nM
   TI
   LI
   LO
   TS
2
EC50 = 3900 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 7100 nM
Protein ID: PT04880, Nuclear receptor subfamily 1 group I member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
EC50 = 23400 nM
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 20749.1 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Felodipine )
Drug Name Felodipine
Company AstraZeneca
Indication
Hypertension
Approved