Details of the Drug

General Information of Drug (ID: DMVJL8H)

Drug Name
cyclic CMP
Synonyms cytidine, cyclic 3',5'-(hydrogen phosphate)
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 305.18
Topological Polar Surface Area (xlogp) -3.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C9H12N3O7P
IUPAC Name
1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-4-aminopyrimidin-2-one
Canonical SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)OP(=O)(O1)O
InChI
InChI=1S/C9H12N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H2,10,11,14)/t4-,6-,7-,8-/m1/s1
InChIKey
WCPTXJJVVDAEMW-XVFCMESISA-N
Cross-matching ID
PubChem CID
19236
ChEBI ID
CHEBI:17065
CAS Number
3616-08-8
TTD ID
D0T8LP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hyperpolarization cyclic nucleotide-gated channel 2 (HCN2) TT9EUT4 HCN2_HUMAN Activator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 cCMP and cUMP: emerging second messengers. Trends Biochem Sci. 2015 Jan;40(1):8-15.
2 Regulation of hyperpolarization-activated cyclic nucleotide-gated (HCN) channel activity by cCMP. J Biol Chem. 2012 Aug 3;287(32):26506-12.
3 Regulation of gating and rundown of HCN hyperpolarization-activated channels by exogenous and endogenous PIP2. J Gen Physiol. 2006 Nov;128(5):593-604.