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
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
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.