Details of the Drug

General Information of Drug (ID: DMZRQU7)

Drug Name
[3H]cAMP
Synonyms
Cyclic AMP; cAMP; 60-92-4; Adenosine 3',5'-cyclic monophosphate; 3',5'-cyclic AMP; Adenosine 3',5'-phosphate; Adenosine 3',5'-cyclophosphate; cyclic 3',5'-AMP; Adenosine cyclic monophosphate; cyclic 3',5'-Adenylic acid; Adenosine 3',5'-monophosphate; Adenosine-3',5'-cyclophosphate; Adenosine cyclophosphate; Cyclic Adenosine Monophosphate; cyclic Adenosine 3',5'-phosphate; Cyclic adenylic acid; Adenosine cyclic 3',5'-monophosphate; 3',5'-AMP; cyclic Adenosine 3',5'-monophosphate; Adenosine cyclic 3',5'-phosphate; [3H]-cAMP
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1], [2]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 329.21
Topological Polar Surface Area (xlogp) -2.6
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C10H12N5O6P
IUPAC Name
(4aR,6R,7R,7aS)-6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Canonical SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O
InChI
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
Cross-matching ID
PubChem CID
6076
ChEBI ID
CHEBI:17489
CAS Number
60-92-4
DrugBank ID
DB02527
TTD ID
D0UB2J
VARIDT ID
DR00295
INTEDE ID
DR2052

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenylate cyclase (ADCY) TT2QM9D NOUNIPROTAC Inhibitor [3]
cAMP protein kinase type II-beta (PRKAR2B) TTW4Y2M KAP3_HUMAN Inhibitor [3]
cAMP-dependent protein kinase A type I (PRKAR1A) TTNAHEX KAP0_HUMAN Inhibitor [3]
Fungal Protein kinase A (Fung ypkA) TTYVI76 Q56921_YEREN Activator [4]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Multidrug resistance-associated protein 5 (ABCC5) DTYVM24 MRP5_HUMAN Substrate [5]
Multidrug resistance-associated protein 4 (ABCC4) DTCSGPB MRP4_HUMAN Substrate [6]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Phosphodiesterase 7B (PDE7B)
Main DME 		DEON3ED PDE7B_HUMAN Substrate [7]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2352).
3 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
4 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1694).
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