General Information of the Compound
Compound ID
CP0044035
Compound Name
1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpropylamine
    Show/Hide
Synonyms
1-(p-Chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpropylamine
1-(p-Chlorophenyl)-1-(2-pyridyl)-3-dimethylaminopropane
2-(p-Chloro-alpha-(2-(dimethylamino)ethyl)benzyl)pyridine
3-(4-chlorophenyl)-N,N-dimethyl-3-(pyridin-2-yl)propan-1-amine
3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
3-(p-Chlorophenyl)-3-(2-pyridyl)-N,N-dimethylpropylamine
4-Chloropheniramine
Aller-Chlor
Allergican
Allergisan
Antagonate
CHLORPHENIRAMINE (SEE ALSO: CHLORPHENIRAMINE MALEATE (CAS113-92-8))
Chlo-amine
Chlor-Pro
Chlor-Trimeton (TN)
Chlor-Trimeton Repetabs
Chlor-Tripolon (TN)
Chlor-trimeton
Chloropheniramine
Chlorophenylpyridamin
Chlorophenylpyridamine
Chloropiril
Chloroprophenpyridamine
Chlorphenamine
Chlorphenamine (INN)
Chlorphenamine [INN]
Chlorphenaminum
Chlorphenaminum [INN-Latin]
Chlorpheniramine
Chlorpheniraminum
Chlorprophenpyridamine
Clofeniramina
Clofeniramina (TN)
Clorfenamina
Clorfenamina [INN-Spanish]
Clorfeniramina
Clorfeniramina [Italian]
Cloropiril
Comakin (TN)
Gamma-(4-Chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine
Gamma-(4-Chlorophenyl)-gamma-(2-pyridyl)propyldimethylamine
Gen-Allerate
Haynon
Hayon
Histadur
ISOCLOR
Kloromin
Novo-Pheniram
Pediacare Allergy Formula
Phenetron
PiriIton
Piriton
Piriton (TN)
Polaronil
Telachlor
Teldrin
[3H]Chlorpheniramine
    Show/Hide
Structure
Formula
C16H19ClN2
Molecular Weight
274.795
Canonical SMILES
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
    Show/Hide
InChI
InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
    Show/Hide
InChIKey
SOYKEARSMXGVTM-UHFFFAOYSA-N
CAS
42882-96-2
46970-45-0
132-22-9
Physicochemical Property
logP
3.8186
Rotatable Bonds
5
Heavy Atom Count
19
Polar Areas
16.13
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 2725
SID: 14775101
ChEMBL ID
CHEMBL505
DrugBank ID
DB01114
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: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 66 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 7 nM
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 20892.96 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1100 nM
2 IC50 = 20892.96 nM
Protein ID: PT06157, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 14000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04368, Solute carrier family 22 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 26000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Chlorpheniramine )
Drug Name Chlorpheniramine
Company Schering-Plough Corporation
Indication
Allergic rhinitis
Approved
Target(s)
Histamine H1 receptor (H1R)
Antagonist