Details of the Drug

General Information of Drug (ID: DMEZVGK)

Drug Name
DAU-5884
Synonyms 131780-47-7
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 351.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C17H22ClN3O3
IUPAC Name
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-oxo-1,4-dihydroquinazoline-3-carboxylate;hydrochloride
Canonical SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)N3CC4=CC=CC=C4NC3=O.Cl
InChI
InChI=1S/C17H21N3O3.ClH/c1-19-12-6-7-13(19)9-14(8-12)23-17(22)20-10-11-4-2-3-5-15(11)18-16(20)21;/h2-5,12-14H,6-10H2,1H3,(H,18,21);1H/t12-,13+,14?;
InChIKey
FDERDDSQHZRNGC-LIWIJTDLSA-N
Cross-matching ID
PubChem CID
16759154
CAS Number
131780-47-7
TTD ID
D0R8AZ
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP 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
Muscarinic acetylcholine receptor M1 (CHRM1) TTZ9SOR ACM1_HUMAN Modulator [1]
Muscarinic acetylcholine receptor M3 (CHRM3) TTQ13Z5 ACM3_HUMAN Modulator [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
Muscarinic acetylcholine receptor M1 (CHRM1) DTT CHRM1 5.59E-01 0.19 0.41
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Doi: 10.1038/bjp.2008.208