Details of the Drug

General Information of Drug (ID: DMYBX4N)

Drug Name
AZD1390
Synonyms VQSZIPCGAGVRRP-UHFFFAOYSA-N; SCHEMBL18631972; AZD-1390; EX-A2670; CS-8217; 2089288-03-7; HY-109566
Indication
Disease Entry ICD 11 Status REF
Recurrent glioblastoma 2A00.00 Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 477.6
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C27H32FN5O2
IUPAC Name
7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)pyridin-3-yl]-1-propan-2-ylimidazo[4,5-c]quinolin-2-one
Canonical SMILES
CC(C)N1C2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)OCCCN5CCCCC5)F)N(C1=O)C
InChI
InChI=1S/C27H32FN5O2/c1-18(2)33-26-21-14-20(22(28)15-23(21)29-17-24(26)31(3)27(33)34)19-8-9-25(30-16-19)35-13-7-12-32-10-5-4-6-11-32/h8-9,14-18H,4-7,10-13H2,1-3H3
InChIKey
VQSZIPCGAGVRRP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
126689157
CAS Number
2089288-03-7
TTD ID
D0L6XO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
ATM serine/threonine kinase (ATM) TTKBM7V ATM_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 Recurrent glioblastoma
ICD Disease Classification 2A00.00
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
ATM serine/threonine kinase (ATM) DTT ATM 8.10E-01 -0.01 -0.02
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)