AZELAIC ACID

Search structure
Trade Names:
Synonyms:
Status: Approved (1995)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D10AX03
UNII: F2VW3D43YT

Structure
InChI Key BDJRBEYXGGNYIS-UHFFFAOYSA-N
Smile O=C(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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16O4
Molecular Weight 188.22
AlogP 1.89
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 74.6
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 8
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acne Vulgaris 4 D000152 ClinicalTrials
Dermatitis, Seborrheic 2 D012628 ClinicalTrials
Dermatitis, Perioral 2 D019557 ClinicalTrials

Related Entries

MCS

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
31.43
General disorders and administration site conditions
23.46
Injury, poisoning and procedural complications
14.87
Nervous system disorders
7.3
Product issues
4.84
Immune system disorders
3.14

Cross References

Resources Reference
CAS NUMBER 123-99-9
ChEBI 48131
ChEMBL CHEMBL1238
DrugBank DB00548
DrugCentral 270
EPA CompTox DTXSID8021640
FDA SRS F2VW3D43YT
Human Metabolome Database HMDB0000784
Guide to Pharmacology 7484
KEGG C08261
PDB AZ1
PharmGKB PA164754850
PubChem 2266
SureChEMBL SCHEMBL3887
ZINC ZINC000001531036
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