Details of the Drug

General Information of Drug (ID: DMTD57A)

• Drug Name: AZD8329
• Synonyms: AZD-8329; AZD 8329; UNII-5B38CV1212; 1048668-70-7; CHEMBL2177609; 5B38CV1212; 4-[4-(2-Adamantylcarbamoyl)-5-Tert-Butyl-Pyrazol-1-Yl]benzoic Acid; AZD8329; XWBXJBSVYVJAMZ-UHFFFAOYSA-N; SCHEMBL617351; GTPL7715; BDBM50399335; 4-(4-(Adamant-2-ylcarbamoyl)-5-tert-butylpyrazol-1-yl)benzoic acid; Benzoic acid, 4-(5-(1,1-dimethylethyl)-4-((tricyclo(3.3.1.13,7)dec-2-ylamino)carbonyl)-1H-pyrazol-1-yl)-; 4-[4-(2-adamantylcarbamoyl)-5-tertbutyl-pyrazol-1-yl]benzoic acid; 4-[4-(2-adamantylcarbamoyl)-5-tert-butylpyrazol-1-yl]benzoic ac

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Phase 1	[1]
Obesity	5B81	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 421.5
  Logarithm of the Partition Coefficient (xlogp); 4.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C25H31N3O3
  IUPAC Name: 4-[4-(2-adamantylcarbamoyl)-5-tert-butylpyrazol-1-yl]benzoic acid
  Canonical SMILES: CC(C)(C)C1=C(C=NN1C2=CC=C(C=C2)C(=O)O)C(=O)NC3C4CC5CC(C4)CC3C5
  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)
  InChIKey: XWBXJBSVYVJAMZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 25006684
  ChEBI ID: CHEMBL2177609
  CAS Number: 1048668-70-7
  TTD ID: D0O1ZI
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug
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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)	TTN7BL9	DHI1_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Diabetic complication
• ICD Disease Classification: 5A2Y

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Corticosteroid 11-beta-dehydrogenase 1 (HSD11B1)	DTT	HSD11B1	2.03E-01	-0.01	-0.08

References

• [1] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7715).
• [2] Clinical pipeline report, company report or official report of AstraZeneca (2011).