Drug Name |
AZD-8848
|
Synonyms |
AZ-12441970; DSP-3025; SM-324405; TLR7 agonist (allergy), Dainippon/AstraZeneca |
Indication |
Disease Entry |
ICD 11 |
Status |
REF |
Allergic rhinitis |
CA08.0
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Phase 2 |
[1] |
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Structure |
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3D MOL
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2D MOL
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#Ro5 Violations (Lipinski): 2 |
Molecular Weight (mw) |
569.7 |
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Logarithm of the Partition Coefficient (xlogp) |
2.3 |
Rotatable Bond Count (rotbonds) |
17 |
Hydrogen Bond Donor Count (hbonddonor) |
2 |
Hydrogen Bond Acceptor Count (hbondacc) |
10 |
Chemical Identifiers |
- Formula
- C29H43N7O5
- IUPAC Name
methyl 2-[3-[[3-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)propyl-(3-morpholin-4-ylpropyl)amino]methyl]phenyl]acetate
- Canonical SMILES
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CCCCOC1=NC(=C2C(=N1)N(C(=O)N2)CCCN(CCCN3CCOCC3)CC4=CC=CC(=C4)CC(=O)OC)N
- InChI
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InChI=1S/C29H43N7O5/c1-3-4-16-41-28-32-26(30)25-27(33-28)36(29(38)31-25)13-7-12-35(11-6-10-34-14-17-40-18-15-34)21-23-9-5-8-22(19-23)20-24(37)39-2/h5,8-9,19H,3-4,6-7,10-18,20-21H2,1-2H3,(H,31,38)(H2,30,32,33)
- InChIKey
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FEFIBEHSXLKJGI-UHFFFAOYSA-N
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Cross-matching ID |
- PubChem CID
- 11592228
- CAS Number
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- DrugBank ID
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- TTD ID
- D04XCO
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