(±)-cis-H2-PAT   Click here for help

GtoPdb Ligand ID: 1206

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 3.24
Molecular weight 251.17
XLogP 3.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(C1Cc2ccccc2C(C1)c1ccccc1)C
Isomeric SMILES CN([C@@H]1Cc2ccccc2[C@@H](C1)c1ccccc1)C
InChI InChI=1S/C18H21N/c1-19(2)16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,12-13H2,1-2H3/t16-,18+/m1/s1
InChI Key DXJUCAUQIHNOAF-AEFFLSMTSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
H1 receptor Hs Antagonist Antagonist 7.8 – 8.2 pKi - 1
pKi 8.1 – 8.2 [1]
pKi 7.8 – 7.9 [1]