AZELIRAGON

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: LPU25F15UQ

Structure
InChI Key KJNNWYBAOPXVJY-UHFFFAOYSA-N
Smile CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1
InChI
InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H38ClN3O2
Molecular Weight 532.13
AlogP 8.44
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 14.0
Polar Surface Area 39.52
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 38.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Advanced glycosylation end product-specific receptor antagonist
Primary Target
advanced glycosylation end-product specific receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 1 Cytochrome P450 family 1A Cytochrome P450 1A2
- - - - 0
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- - - - 7.9
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- - - - 3.7
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 0
Enzyme Transferase
- - - - -22.3--19.21
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -11.59-9.56
Membrane receptor
- 13470 12.7-500 - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 3 D000544 ClinicalTrials
Diabetic Nephropathies 2 D003928 ClinicalTrials
Glioblastoma 2 D005909 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 603148-36-3
ChEMBL CHEMBL3989929
DrugBank DB12689
FDA SRS LPU25F15UQ
Guide to Pharmacology 8317
PubChem 11180124
SureChEMBL SCHEMBL1142599
ZINC ZINC000038336973
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