General Information of the Compound
Compound ID
CP0915930
Compound Name
Pranidipine
    Show/Hide
Synonyms
Acalas
OPC-13340
OPC-13463
Pranidipine
    Show/Hide
Structure
Formula
C25H24N2O6
Molecular Weight
448.475
Canonical SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)C1c1cccc([N+](=O)[O-])c1
    Show/Hide
InChI
InChI=1S/C25H24N2O6/c1-16-21(24(28)32-3)23(19-12-7-13-20(15-19)27(30)31)22(17(2)26-16)25(29)33-14-8-11-18-9-5-4-6-10-18/h4-13,15,23,26H,14H2,1-3H3/b11-8+
    Show/Hide
InChIKey
XTFPDGZNWTZCMF-DHZHZOJOSA-N
CAS
99522-79-9
Physicochemical Property
logP
4.2592
Rotatable Bonds
7
Heavy Atom Count
33
Polar Areas
107.77
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
7
Complexity
33

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 6436048
SID: 12014489
ChEMBL ID
CHEMBL1096842
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: 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 = 37 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 = 37 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Pranidipine )
Drug Name Pranidipine
Company Otsuka Pharmaceutical Co Ltd
Indication
Angina pectoris
Terminated