General Information of the Compound
Compound ID
CP0223810
Compound Name
Dynacirc
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Synonyms
(+-)-Isradipine
(+/-)-Isradipine
2,1,3-Benzoxadiazole, 3,5-pyridinedicarboxylic acid deriv3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, 3-methyl 5-(1-methylethyl) ester
3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester
3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester (9CI)
3,5-Pyridinedicarboxylic acid, 4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester
3-O-methyl 5-O-propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
4-(2,1,3-Benzooxadiazol-4-yl)-2.6-dimethyl-1,4-dihydro-3-isopropyloxycarbonylpyridine-5-carboxylic Acid Methyl Ester
4-(4-Benzofurazanyl)-1,-4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid methyl 1-methhylethyl ester
4-(4-Benzofurazanyl)-1,-4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylic acid methyl 1-methylethyl ester
4-(4-Benzofurazanyl)-1,4-dihydro-2,-6-dimethyl-3,5-pyridinedicarboxylic acid methyl 1-methylethyl ester
Clivoten
DynaCirc
DynaCirc (TN)
DynaCirc, Prescal, PN-200-110, Clivoten, Esradin, Isradipine
DynaCire
DynaCire CR
Dynacirc CR
Dynacrine
Esradin
Icaz
Isopropyl 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-5-methoxycarbonyl-2,6-dimethyl-3-pyridinecarboxylate
Isopropyl methyl (+-)-4-(4-benzofurazanyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
Isradipin
Isradipine
Isradipine (USP/INN)
Isradipine [USAN:INN:BAN]
Isradipine, (+-)-Isomer
Isradipine, (R)-Isomer
Isradipine, (S)-Isomer
Isradipino
Isradipino [Spanish]
Isradipinum
Isradipinum [Latin]
Isrodipine
Lomir
Methyl 1-methylethyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
O5-methyl O3-propan-2-yl 4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PN 200-110
PN 205 033
PN 205 034
PN 205-033
PN 205-034
PN 205033
PN 205034
PN-200-110
PN-200110
PN-205-033
PN-205-034
PN205033
PN205034
Prescal
Prescal (TN)
Rebriden
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Structure
Formula
C19H21N3O5
Molecular Weight
371.393
Canonical SMILES
COC(=O)C1=C(C)NC(C)=C(C1c1cccc2nonc12)C(=O)OC(C)C
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InChI
InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3
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InChIKey
HMJIYCCIJYRONP-UHFFFAOYSA-N
CAS
75695-93-1
88977-22-4
Physicochemical Property
logP
2.5822
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
103.55
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
27

"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: 3784
SID: 12013580
ChEMBL ID
CHEMBL1648
DrugBank ID
DB00270
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: 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 = 28000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01102, Voltage-dependent L-type calcium channel subunit alpha-1C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2.2 nM
   TI
   LI
   LO
   TS
Protein ID: PT06040, Voltage-dependent L-type calcium channel subunit alpha-1C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 107 nM
   TI
   LI
   LO
   TS
Protein ID: PT06039, Voltage-dependent L-type calcium channel subunit alpha-1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 221 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Isradipine )
Drug Name Isradipine
Company Norvatis Phamaceuticals Corporation
Indication
Hypertension
Approved
Herpes simplex virus infection
Phase 3