Details of the Drug

General Information of Drug (ID: DMWV8YX)

Drug Name
9-Ethyl-9H-adenine
Synonyms
9-ethyl-9h-purin-6-amine; 2715-68-6; 9-Ethyladenine; 9H-Purin-6-amine,9-ethyl; N9-Ethyladenine; 9-ethylpurin-6-amine; 9H-Purin-6-amine, 9-ethyl-; 9-ethyl adenine; 9-Ethyl-9H-purin-6-ylamine; 9H-Purin-6-amine,9-ethyl-; CHEMBL304009; Adenine, 9-ethyl-; 9-Ethyl-9H-adenine; N9 -ethyladenine; NSC 14580; 6-Amino-9-ethylpurine; AC1Q4VHH; ACMC-1CJP6; (9-ethylpurin-6-yl)amine; Adenine, 9-ethyl- (8CI); AC1L189M; SCHEMBL1924594; CTK4F9170; DTXSID50181616; MUIPLRMGAXZWSQ-UHFFFAOYSA-N; MolPort-004-964-357; ZINC402896; NSC14580; KS-000000ID
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 163.18
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C7H9N5
IUPAC Name
9-ethylpurin-6-amine
Canonical SMILES
CCN1C=NC2=C(N=CN=C21)N
InChI
InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10)
InChIKey
MUIPLRMGAXZWSQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
7
ChEBI ID
CHEMBL304009
CAS Number
2715-68-6
TTD ID
D03JFX
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A1 receptor (ADORA1) TTK25J1 AA1R_HUMAN Inhibitor [1]
Adenosine A2a receptor (ADORA2A) TTM2AOE AA2AR_HUMAN Inhibitor [1]
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References

1 8-Bromo-9-alkyl adenine derivatives as tools for developing new adenosine A2A and A2B receptors ligands. Bioorg Med Chem. 2009 Apr 1;17(7):2812-22.