Details of the Drug

General Information of Drug (ID: DMWCJEU)

Drug Name
AZD0156
Synonyms
AOTRIQLYUAFVSC-UHFFFAOYSA-N; 1821428-35-6; AZD-0156; UNII-P5T0XWC07Z; P5T0XWC07Z; GTPL9942; CHEMBL3960662; SCHEMBL17246146; AZD 0156 [WHO-DD]; MolPort-044-560-374; BDBM245474; BCP18990; EX-A1321; s8375; ZINC498035578; AKOS030629510; CS-5889; SB19769; AZD0156 (AZD-0156); AS-35329; compound 64 [PMID: 29683659]; HY-100016; US9428503, 1; 8-[6-[3-(dimethylamino)propoxy]pyridin-3-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one; 8-(6-(3-(dimethylamino)propoxy)pyridin-3-yl)-3-methyl-1-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 461.6
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C26H31N5O3
IUPAC Name
8-[6-[3-(dimethylamino)propoxy]pyridin-3-yl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-one
Canonical SMILES
CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4CCOCC4)C5=CN=C(C=C5)OCCCN(C)C
InChI
InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3
InChIKey
AOTRIQLYUAFVSC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
118502708
ChEBI ID
CHEMBL3960662
CAS Number
1821428-35-6
TTD ID
D0XD4I
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

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 Solid tumour/cancer
ICD Disease Classification 2A00-2F9Z
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)