General Information of the Compound
Compound ID
CP0001135
Compound Name
1-(2,3,4-trimethoxybenzyl)-4-(bis(4-fluorophenyl)methyl)piperazine
    Show/Hide
Synonyms
1-(2,3,4-trimethoxybenzyl)-4-(bis(4-fluorophenyl)methyl)piperazine
1-(2,3,4-trimethoxybenzyl)-4-[bis(4-fluorophenyl)methyl]piperazine
1-(Bis(p-fluorophenyl)-methyl)-4-(2,3,4-trimethoxybenzyl)piperazine
1-(Bis(p-fluorophenyl)methyl)-4-(2,3,4-trimethoxybenzyl)piperazine
1-[bis(4-fluorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
101477-55-8
AC1Q4NME
C27H30F2N2O3
CHEMBL29188
DEE37CY4VO
LOMERIZINE
Lomerizine [INN]
NCGC00164543-01
Terranas
UNII-DEE37CY4VO
iomerizine
lomerizine
    Show/Hide
Structure
Formula
C27H30F2N2O3
Molecular Weight
468.544
Canonical SMILES
COc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1OC
    Show/Hide
InChI
InChI=1S/C27H30F2N2O3/c1-32-24-13-8-21(26(33-2)27(24)34-3)18-30-14-16-31(17-15-30)25(19-4-9-22(28)10-5-19)20-6-11-23(29)12-7-20/h4-13,25H,14-18H2,1-3H3
    Show/Hide
InChIKey
JQSAYKKFZOSZGJ-UHFFFAOYSA-N
CAS
101477-55-8
Physicochemical Property
logP
4.8978
Rotatable Bonds
8
Heavy Atom Count
34
Polar Areas
34.17
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
34

"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: 3949
SID: 14882874
ChEMBL ID
CHEMBL29188
DrugBank ID
DB14065
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: PT02031, Voltage-dependent N-type calcium channel subunit alpha-1B
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000016 IMR-32
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2430 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( LOMERIZINE )
Drug Name LOMERIZINE
Indication
Migraine
Approved
Target(s)
Voltage-gated sodium channel alpha Nav1.5 (SCN5A)
 Target Info 
Inhibitor
Voltage-gated calcium channel alpha Cav2.2 (CACNA1B)
 Target Info 
Inhibitor