RN1734   Click here for help

GtoPdb Ligand ID: 4294

Synonyms: RN 1734 | RN-1734
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 57.79
Molecular weight 352.08
XLogP 3.73
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(NCCN(S(=O)(=O)c1ccc(cc1Cl)Cl)C(C)C)C
Isomeric SMILES CC(NCCN(S(=O)(=O)c1ccc(cc1Cl)Cl)C(C)C)C
InChI InChI=1S/C14H22Cl2N2O2S/c1-10(2)17-7-8-18(11(3)4)21(19,20)14-6-5-12(15)9-13(14)16/h5-6,9-11,17H,7-8H2,1-4H3
InChI Key IHYZMEAZAIFMTN-UHFFFAOYSA-N
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPV4 Hs Channel blocker Inhibition 5.6 pIC50 - 1
pIC50 5.6 (IC50 2.3x10-6 M) [1]
Voltage: Physiological
TRPV4 Rn Channel blocker Inhibition 5.5 pIC50 - 1
pIC50 5.5 [1]
Voltage: Physiological
TRPV4 Mm Channel blocker Inhibition 5.2 pIC50 - 1
pIC50 5.2 [1]
Voltage: Physiological