Details of the Drug

General Information of Drug (ID: DMJFDS0)

Drug Name
BI-409306
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Phase 2 [1]
Psychiatric disorder 6E8Z Phase 2 [2]
Schizophrenia 6A20 Phase 2 [3]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 311.34
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H17N5O2
IUPAC Name
1-(oxan-4-yl)-6-(pyridin-2-ylmethyl)-5H-pyrazolo[3,4-d]pyrimidin-4-one
Canonical SMILES
C1COCCC1N2C3=C(C=N2)C(=O)NC(=N3)CC4=CC=CC=N4
InChI
InChI=1S/C16H17N5O2/c22-16-13-10-18-21(12-4-7-23-8-5-12)15(13)19-14(20-16)9-11-3-1-2-6-17-11/h1-3,6,10,12H,4-5,7-9H2,(H,19,20,22)
InChIKey
BZTIJCSHNVZMES-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135908617
ChEBI ID
CHEMBL4206492
CAS Number
1189767-28-9
UNII
O9OC34WOAY
DrugBank ID
DB16274
TTD ID
D0W7UN
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Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 9 (PDE9) TTZOEBC PDE9A_HUMAN Inhibitor [4]
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
Phosphodiesterase 9 (PDE9) DTT PDE9A 8.73E-03 0.07 0.36
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)
2 ClinicalTrials.gov (NCT02240693) Alzheimer Disease Proof of Concept Study With BI 409306 Versus Placebo. U.S. National Institutes of Health.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Clinical pipeline report, company report or official report of Boehringer Ingelheim pipeline.