General Information of the Compound
Compound ID
CP0218570
Compound Name
1-[5-(4-Chlorophenyl)-2-furoyl]piperazine
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Synonyms
1-[5-(4-Chlorophenyl)-2-furoyl]piperazine
BDBM50270649
CHEMBL521211
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Structure
Formula
C15H15ClN2O2
Molecular Weight
290.75
Canonical SMILES
Clc1ccc(cc1)-c1ccc(o1)C(=O)N1CCNCC1
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InChI
InChI=1S/C15H15ClN2O2/c16-12-3-1-11(2-4-12)13-5-6-14(20-13)15(19)18-9-7-17-8-10-18/h1-6,17H,7-10H2
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InChIKey
FSVUGYFGMKVKHY-UHFFFAOYSA-N
Physicochemical Property
logP
2.6454
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
45.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 24857857
SID: 50088784
ChEMBL ID
CHEMBL521211
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: PT02752, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 280 nM
   TI
   LI
   LO
   TS
Protein ID: PT03008, Sodium channel protein type 10 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2900 nM
   TI
   LI
   LO
   TS
Protein ID: PT03022, Sodium channel protein type 2 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 1100 nM
   TI
   LI
   LO
   TS
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4600 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-[5-(4-Chlorophenyl)-2-furoyl]piperazine )
Drug Name 1-[5-(4-Chlorophenyl)-2-furoyl]piperazine
Target(s)
Voltage-gated sodium channel alpha Nav1.8 (SCN10A)
Inhibitor
Voltage-gated sodium channel alpha Nav1.5 (SCN5A)
Inhibitor