Details of the Drug

General Information of Drug (ID: DM74X5O)

Drug Name

2'-3'-dideoxy-7-deaza-guaninetriphosphate

Synonyms

CHEMBL195111; BDBM50164639

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): 2

Molecular Weight (mw)

490.19

Logarithm of the Partition Coefficient (xlogp)

-4.7

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

14

Chemical Identifiers

Formula: C11H17N4O12P3
IUPAC Name: [[(2S,5R)-5-(6-amino-7-oxo-4H-imidazo[4,5-c]pyridin-3-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Canonical SMILES: C1C[C@@H](O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C2CN=C(C3=O)N
InChI: InChI=1S/C11H17N4O12P3/c12-11-10(16)9-7(3-13-11)15(5-14-9)8-2-1-6(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h5-6,8H,1-4H2,(H2,12,13)(H,20,21)(H,22,23)(H2,17,18,19)/t6-,8+/m0/s1
InChIKey: UOKJOXGBXPVQIX-POYBYMJQSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis of 2',3'-dideoxynucleoside 5'-alpha-P-borano-beta,gamma-(difluoromethylene)triphosphates and their inhibition of HIV-1 reverse transcript... J Med Chem. 2005 Apr 7;48(7):2695-700.