(+)-chlorpheniramine   Click here for help

GtoPdb Ligand ID: 1210

Synonyms: chlorphenamine
Compound class: Synthetic organic
Comment: A component of the approved drug chlorpheniramine. (+)-chlorpheniramine is the more active isomer.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 16.13
Molecular weight 274.12
XLogP 3.24
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CN(CCC(c1ccccn1)c1ccc(cc1)Cl)C
Isomeric SMILES CN(CC[C@H](c1ccccn1)c1ccc(cc1)Cl)C
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/t15-/m0/s1
InChI Key SOYKEARSMXGVTM-HNNXBMFYSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
H1 receptor Hs Antagonist Antagonist 8.3 – 8.6 pKi - 1-2
pKi 8.3 – 8.6 [1-2]