azelaic acid   Click here for help

GtoPdb Ligand ID: 7484

Synonyms: Azelex® | Finacea® | ZK-62498
Approved drug PDB Ligand Immunopharmacology Ligand
azelaic acid is an approved drug (FDA (1995))
Compound class: Synthetic organic
Comment: Azelaic acid is a saturated dicarboxylic acid, used clinically for its antibacterial and antiinflammatory actions, as well as for its ability to inhibit keratin and melanin production.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 74.6
Molecular weight 188.1
XLogP 1.71
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)CCCCCCCC(=O)O
Isomeric SMILES OC(=O)CCCCCCCC(=O)O
InChI InChI=1S/C9H16O4/c10-8(11)6-4-2-1-3-5-7-9(12)13/h1-7H2,(H,10,11)(H,12,13)
InChI Key BDJRBEYXGGNYIS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1995))
IUPAC Name Click here for help
Nonanedioic acid
International Nonproprietary Names Click here for help
INN number INN
5883 azelaic acid
Synonyms Click here for help
Azelex® | Finacea® | ZK-62498
Database Links Click here for help
CAS Registry No. 123-99-9
ChEMBL Ligand CHEMBL1238
DrugBank Ligand DB00548
DrugCentral Ligand 270
GtoPdb PubChem SID 187051787
PubChem CID 2266
RCSB PDB Ligand AZ1
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Wikipedia Azelaic acid