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]
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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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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References

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