RN-9893   Click here for help

GtoPdb Ligand ID: 10304

Synonyms: compound 26 [PMID: 26235950] | RN9893
Compound class: Synthetic organic
Comment: RN-9893 is an orally-bioavailable, selective inhibitor/antagonist of the TRPV4 ion channel [1]. It inhibits the channel activity of the human, rat and murine variants of TRPV4, and is selective for TRPV4 compared to related TRP channels, including TRPV1, TRPV3 and TRPM8. RN-9893 is therefore an appropriate probe compound for in vivo applications.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 121.24
Molecular weight 500.13
XLogP 3.42
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C
Isomeric SMILES CC(N1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F)C
InChI InChI=1S/C21H23F3N4O5S/c1-14(2)26-9-11-27(12-10-26)34(32,33)17-6-4-16(5-7-17)25-20(29)18-8-3-15(21(22,23)24)13-19(18)28(30)31/h3-8,13-14H,9-12H2,1-2H3,(H,25,29)
InChI Key KORKKQLDGMHNKO-UHFFFAOYSA-N
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
TRPV4 Mm Channel blocker Antagonist 6.5 pIC50 - 1
pIC50 6.5 [1]
TRPV4 Hs Channel blocker Antagonist 6.2 pIC50 - 1
pIC50 6.2 [1]