YC-1   Click here for help

GtoPdb Ligand ID: 5291

Synonyms: 3-(5′-hydroxymethyl-2′furyl)-1-benzyl-indazole | YC1
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 51.19
Molecular weight 304.12
XLogP 3.42
No. Lipinski's rules broken 0
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Canonical SMILES OCc1ccc(o1)c1nn(c2c1cccc2)Cc1ccccc1
Isomeric SMILES OCc1ccc(o1)c1nn(c2c1cccc2)Cc1ccccc1
InChI InChI=1S/C19H16N2O2/c22-13-15-10-11-18(23-15)19-16-8-4-5-9-17(16)21(20-19)12-14-6-2-1-3-7-14/h1-11,22H,12-13H2
Selectivity at catalytic receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Guanylyl cyclase, α1β1 Hs Activator Activation - - - 1-3
Guanylyl cyclase, α2β1 Hs Activator Activation - - - 2-3
Ligand mentioned in the following text fields