AZD8329   Click here for help

GtoPdb Ligand ID: 7715

Synonyms: AZD 8329 | AZD-8329
Compound class: Synthetic organic
Comment: AZD8329 is an inhibitor of 11-beta-hydroxysteroid dehydrogenase type 1 (11β-HSD1). This compound is included in AstaZeneca's Open Innovation Pharmacology Toolbox.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 83.7
Molecular weight 421.24
XLogP 4.84
No. Lipinski's rules broken 0
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Canonical SMILES O=C(c1cnn(c1C(C)(C)C)c1ccc(cc1)C(=O)O)NC1C2CC3CC1CC(C2)C3
Isomeric SMILES O=C(c1cnn(c1C(C)(C)C)c1ccc(cc1)C(=O)O)NC1C2CC3CC1CC(C2)C3
InChI InChI=1S/C25H31N3O3/c1-25(2,3)22-20(13-26-28(22)19-6-4-16(5-7-19)24(30)31)23(29)27-21-17-9-14-8-15(11-17)12-18(21)10-14/h4-7,13-15,17-18,21H,8-12H2,1-3H3,(H,27,29)(H,30,31)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[4-(2-adamantylcarbamoyl)-5-tert-butylpyrazol-1-yl]benzoic acid
Synonyms Click here for help
AZD 8329 | AZD-8329
Database Links Click here for help
ChEMBL Ligand CHEMBL2177609
GtoPdb PubChem SID 223366048
PubChem CID 25006684
Search Google for chemical match using the InChIKey XWBXJBSVYVJAMZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XWBXJBSVYVJAMZ
UniChem Compound Search for chemical match using the InChIKey XWBXJBSVYVJAMZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey XWBXJBSVYVJAMZ-UHFFFAOYSA-N