Details of the Drug

General Information of Drug (ID: DM78623)

Drug Name
AA-2379
Synonyms 7-Butyl-3-(methylamino)-4,6-dioxo-5-propyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidine-2-carboxylic acid methyl ester
Indication
Disease Entry ICD 11 Status REF
Inflammation 1A00-CA43.1 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 337.37
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C15H23N5O4
IUPAC Name
methyl 7-butyl-3-(methylamino)-4,6-dioxo-5-propylpyrazolo[3,4-d]pyrimidine-2-carboxylate
Canonical SMILES
CCCCN1C2=NN(C(=C2C(=O)N(C1=O)CCC)NC)C(=O)OC
InChI
InChI=1S/C15H23N5O4/c1-5-7-9-18-12-10(13(21)19(8-6-2)14(18)22)11(16-3)20(17-12)15(23)24-4/h16H,5-9H2,1-4H3
InChIKey
AKJPAUXGPOUISG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
128390
CAS Number
103446-98-6
TTD ID
D0B2OL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase (PDE) TTUST1O NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000920)
2 Inhibitory effects of methyl 7-butyl-4,5,6,7-tetrahydro-3-methylamino-4,6-dioxo-5-propyl- 2H-pyrazolo[3,4-d]pyrimidine-2-carboxylate (AA-2379) on lysosomal enzyme and arachidonic acid release from rat polymorphonuclear leukocytes and its mode of action. Agents Actions. 1989 Nov;28(3-4):248-55.