Details of the Drug

General Information of Drug (ID: DMATC5P)

Drug Name
AZ4800
Synonyms AZ 4800; AZ-4800
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 435.5
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C24H29N5O3
IUPAC Name
4-(cyclopentyloxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
Canonical SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)NC3=NC4=C(COCC4)C(=N3)COC5CCCC5)OC
InChI
InChI=1S/C24H29N5O3/c1-16-12-29(15-25-16)22-8-7-17(11-23(22)30-2)26-24-27-20-9-10-31-13-19(20)21(28-24)14-32-18-5-3-4-6-18/h7-8,11-12,15,18H,3-6,9-10,13-14H2,1-2H3,(H,26,27,28)
InChIKey
RMRFSIAFQBYBSN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
50996844
TTD ID
D04LBV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Amyloid beta A4 protein (APP) TTE4KHA A4_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Amyloid beta A4 protein (APP) DTT APP 1.60E-02 -0.07 -0.31
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 First and second generation gamma-secretase modulators (GSMs) modulate amyloid-beta (Abeta) peptide production through different mechanisms. J Biol Chem. 2012 Apr 6;287(15):11810-9.