Details of the Drug

General Information of Drug (ID: DMOZ04X)

Drug Name
AZD-5213
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 327.4
Logarithm of the Partition Coefficient (xlogp) 1.2
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H25N3O2
IUPAC Name
4-[(1S,2S)-2-(4-cyclobutylpiperazine-1-carbonyl)cyclopropyl]benzamide
Canonical SMILES
C1CC(C1)N2CCN(CC2)C(=O)[C@H]3C[C@@H]3C4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C19H25N3O2/c20-18(23)14-6-4-13(5-7-14)16-12-17(16)19(24)22-10-8-21(9-11-22)15-2-1-3-15/h4-7,15-17H,1-3,8-12H2,(H2,20,23)/t16-,17+/m1/s1
InChIKey
VCQZCDSEWSFTPO-SJORKVTESA-N
Cross-matching ID
PubChem CID
53342708
CAS Number
1119807-02-1
TTD ID
D0I6ZO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Histamine H3 receptor (H3R) TT9JNIC HRH3_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Alzheimer disease
ICD Disease Classification 8A20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Histamine H3 receptor (H3R) DTT HRH3 3.62E-02 -0.09 -0.22
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01548287) A Study of the Safety and Tolerability of AZD5213 Effect on Sleep for Patients With Alzheimer's/Cognitive Impairment. U.S. National Institutes of Health.
2 SAR110894, a potent histamine H receptor antagonist, displays procognitive effects in rodents. Pharmacol Biochem Behav. 2012 Aug;102(2):203-14.