Details of the Drug

General Information of Drug (ID: DM6HGUL)

Drug Name
5'-deoxy-5'-[(3-hydrazinopropyl)methylamino]adenosine
Synonyms
MHZPA; 112621-42-8; 5'-Deoxy-5'-[(3-hydrazinopropyl)methylamino]adenosine; 5'-Deoxy-5'-(N-methyl-N-(3-hydrazinopropyl)amino)adenosine; 5'-Deoxy-5'-((3-hydrazinopropyl)methylamino)adenosine; Adenosine, 5'-deoxy-5'-[(3-hydrazinopropyl)methylamino]-; MHZ; Adenosine, 5'-deoxy-5'-((3-hydrazinopropyl)methylamino)-; AC1L3TYJ; SCHEMBL952217; Adenosine,5'-deoxy-5'-[(3-hydrazinopropyl)methylamino]- (9CI); CTK4A7899; DTXSID50150125; AKOS030589592; 5'-[(3-Hydrazinopropyl)methylamino]-5'-deoxyadenosine
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) 352.39
Logarithm of the Partition Coefficient (xlogp) -1.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C14H24N8O3
IUPAC Name
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[3-hydrazinylpropyl(methyl)amino]methyl]oxolane-3,4-diol
Canonical SMILES
CN(CCCNN)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI
InChI=1S/C14H24N8O3/c1-21(4-2-3-20-16)5-8-10(23)11(24)14(25-8)22-7-19-9-12(15)17-6-18-13(9)22/h6-8,10-11,14,20,23-24H,2-5,16H2,1H3,(H2,15,17,18)/t8-,10-,11-,14-/m1/s1
InChIKey
MYNRDUPGBPOWQT-IDTAVKCVSA-N
Cross-matching ID
PubChem CID
122092
CAS Number
112621-42-8
TTD ID
D0V2QF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lactosylceramide alpha-2,3-sialyltransferase (ST3GAL5) TTVF2BJ SIAT9_HUMAN Inhibitor [1]
S-adenosylmethionine decarboxylase proenzyme (AMD1) TTBFROQ DCAM_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
S-adenosylmethionine decarboxylase proenzyme (AMD1) DTT AMD1 4.41E-05 0.37 0.61
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 S-adenosylmethionine decarboxylase as an enzyme target for therapy. Pharmacol Ther. 1992 Dec;56(3):359-77.