Details of the Drug

General Information of Drug (ID: DM1JWGH)

Drug Name
Rp-adenosine 3',5'-cyclic monophosphothioate triethylamine (Rp-cAMPS)
Synonyms Rp-cAMPS triethylamine; Rp-Adenosine 3',5'-cyclic monophosphothioate triethylamine
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 446.5
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 10
Chemical Identifiers
Formula
C16H27N6O5PS
IUPAC Name
(7S,7aR)-6-(6-aminopurin-9-yl)-2-oxido-2-sulfanylidene-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;triethylazanium
Canonical SMILES
CC[NH+](CC)CC.C1C2[C@@H]([C@@H](C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=S)(O1)[O-]
InChI
InChI=1S/C10H12N5O5PS.C6H15N/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(19-10)1-18-21(17,22)20-7;1-4-7(5-2)6-3/h2-4,6-7,10,16H,1H2,(H,17,22)(H2,11,12,13);4-6H2,1-3H3/t4?,6-,7-,10?,21?;/m0./s1
InChIKey
OXIPZMKSNMRTIV-NOFBKVLNSA-N
Cross-matching ID
PubChem CID
45114047
TTD ID
D06NOJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fungal Protein kinase A (Fung ypkA) TTYVI76 Q56921_YEREN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibition of protein kinase A activity interferes with long-term, but not short-term, memory of conditioned taste aversions. Behav Neurosci. 2002 Dec;116(6):1070-4.