ONO-7300243   Click here for help

GtoPdb Ligand ID: 9499

Synonyms: compound 17a [1]
Compound class: Synthetic organic
Comment: ONO-7300243 is a selective lysophosphatidic acid receptor 1 (LPA1) antagonist with favourable in vivo efficacy (reducing intraurethral pressure) in rat models of benign prostatic hyperplasia, which in contrast to the α1-adrenoceptor antagonist tamsulosin used clinically in this condition, has no effect on blood pressure [1].
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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 12
Topological polar surface area 76.07
Molecular weight 461.22
XLogP 4.99
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc(cc(c1C)OC)C(=O)N(Cc1ccc(cc1)CC(=O)O)CCCc1ccccc1
Isomeric SMILES COc1cc(cc(c1C)OC)C(=O)N(Cc1ccc(cc1)CC(=O)O)CCCc1ccccc1
InChI InChI=1S/C28H31NO5/c1-20-25(33-2)17-24(18-26(20)34-3)28(32)29(15-7-10-21-8-5-4-6-9-21)19-23-13-11-22(12-14-23)16-27(30)31/h4-6,8-9,11-14,17-18H,7,10,15-16,19H2,1-3H3,(H,30,31)
InChI Key WGABOZPQOOZAOI-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-[4-[[(3,5-dimethoxy-4-methylbenzoyl)-(3-phenylpropyl)amino]methyl]phenyl]acetic acid
Synonyms Click here for help
compound 17a [1]
Database Links Click here for help
GtoPdb PubChem SID 329968438
PubChem CID 66775043
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