Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2052)
Drug Name
Adenosine-c-phosphate
Synonyms
Adenosine 3',5'-cyclophosphate; Adenosine 3',5'-monophosphate; Adenosine 3',5'-phosphate; Adenosine cyclic 3',5'-phosphate; Adenosine cyclic monophosphate; Adenosine-3',5'-cyclophosphate; Cyclic AMP; Cyclic Adenosine Monophosphate; Cyclic adenylic acid; cyclic 3',5'-AMP; cyclic 3',5'-Adenylic acid; cyclic Adenosine 3',5'-phosphate; 3',5'-AMP; 3',5'-cyclic AMP; 60-92-4; Adenosine 3',5'-cyclic monophosphate; Adenosine cyclic 3',5'-monophosphate; adenosine-3',5'-cyclic-monophosphate; cAMP; cyclic Adenosine 3',5'-monophosphate
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 329.21 Topological Polar Surface Area 155
Heavy Atom Count 22 Rotatable Bond Count 1
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 10
Cross-matching ID
PubChem CID
6076
ChEBI ID
CHEBI:17489
CAS Number
60-92-4
TTD Drug ID
D0UB2J
Formula
C10H12N5O6P
Canonical SMILES
C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O
InChI
1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey
IVOMOUWHDPKRLL-KQYNXXCUSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Adenosine-5'-monophosphate DM001705
6419976
Unclear 1 [3]
ATP DM000020
5957
Unclear 1 [4]
Uric acid DM000021
1175
Unclear 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000084 Adenosine-c-phosphate ATP Unclear Unclear [4]
MR000085 Adenosine-c-phosphate Uric acid Unclear Unclear [4]
MR000086 Adenosine-c-phosphate Adenosine-5'-monophosphate Unclear PDE7B [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Phosphodiesterase 7B (PDE7B) DME0438 Homo sapiens
PDE7B_HUMAN
3.1.4.53
[2]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Phosphodiesterase 7B (PDE7B) DME0438 Km = 0.0002 microM
PDE7B_HUMAN
[2]
References
1 The IUPHAR/BPS Guide to PHARMACOLOGY in 2020: extending immunopharmacology content and introducing the IUPHAR/MMV Guide to MALARIA PHARMACOLOGY. Nucleic Acids Res. 2020 Jan 8;48(D1):D1006-D1021. (Ligand id: 5096).
2 Cloning and characterization of the human and mouse PDE7B, a novel cAMP-specific cyclic nucleotide phosphodiesterase. Biochem Biophys Res Commun. 2000 May 27;272(1):186-92.
3 Metabolism of adenosine 3',5'-cyclic monophosphate and induction of fruiting bodies in Coprinus macrorhizus J Bacteriol. 1973 Mar;113(3):1249-55. doi: 10.1128/jb.113.3.1249-1255.1973.
4 Transport and metabolism of N6- and C8-substituted analogs of adenosine 3',5'-cyclic monophosphate and adenosine 3'5'-cyclic phosphorothioate by the isolated perfused rat kidney Life Sci. 1983 Mar 28;32(13):1489-98. doi: 10.1016/0024-3205(83)90915-3.

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