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Chemical structure of PD-159020

GC34031

PD-159020

Also known as 3-(1,3-benzodioxol-5-yl)-1-(1,3-benzodioxol-5-ylmethyl)-5-methoxy-6-phenylmethoxyindole-2-carboxylic acid

PD-159020 is a non-selective ETA/ETB antagonist, with IC50s of 30 and 50 nM for hETA and hETB, respectively

ChemicalCAS177904-00-6MW551.54FormulaC32H25NO8
CAS number
177904-00-6
Molecular weight
551.54
Formula
C32H25NO8
Solubility
Soluble in DMSO
InChIKey
BOQQYCYLUTYLGS-UHFFFAOYSA-N
Catalogue number
GC34031
Brand
GLPBIO
Computed properties PubChem CID 9850566 · XLogP 6.1 · TPSA 97.6 Ų · H-bond donors 1
XLogP
6.1
TPSA
97.6 Ų
H-bond donors
1
H-bond acceptors
8
Rotatable bonds
8
Heavy atoms
41

SMILES COC1=C(C=C2C(=C1)C(=C(N2CC3=CC4=C(C=C3)OCO4)C(=O)O)C5=CC6=C(C=C5)OCO6)OCC7=CC=CC=C7

Computed descriptors from PubChem (CID 9850566), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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