SR101099   Click here for help

GtoPdb Ligand ID: 10886

Synonyms: SAR 101099 | SAR-101099
Compound class: Synthetic organic
Comment: Potent, selective and orally long-acting UT receptor (urotensin II receptor) competitive antagonist inhibiting not only urotensin II receptor but also urotensin related peptide activities. SAR101099 is the hydrochloride, the parent compound structure can be viewed here.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 91.76
Molecular weight 549.24
XLogP 4.21
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CN(CCCOc1cc(ccc1Cl)c1nc(ccc1c1ccccc1C)C(=O)NC1(CCCCC1)C(=O)O)C
Isomeric SMILES CN(CCCOc1cc(ccc1Cl)c1nc(ccc1c1ccccc1C)C(=O)NC1(CCCCC1)C(=O)O)C
InChI InChI=1S/C31H36ClN3O4/c1-21-10-5-6-11-23(21)24-13-15-26(29(36)34-31(30(37)38)16-7-4-8-17-31)33-28(24)22-12-14-25(32)27(20-22)39-19-9-18-35(2)3/h5-6,10-15,20H,4,7-9,16-19H2,1-3H3,(H,34,36)(H,37,38)
InChI Key XCIGPFMHSRYJDG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
1-[[6-[4-chloro-3-[3-(dimethylamino)propoxy]phenyl]-5-(2-methylphenyl)pyridine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
Synonyms Click here for help
SAR 101099 | SAR-101099
Database Links Click here for help
GtoPdb PubChem SID 405560327
PubChem CID 66720777
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