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
Structure
3D MOL is unavailable 2D MOL
#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
CAS Number
1048668-70-7
TTD ID
D0O1ZI
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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).