Details of the Drug

General Information of Drug (ID: DM9HFV7)

Drug Name

SPD-756

Synonyms

BCH-13520

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

292.29

Logarithm of the Partition Coefficient (xlogp)

-0.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C12H16N6O3
IUPAC Name: [(2R,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
Canonical SMILES: C1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@H]4CO[C@H](O4)CO
InChI: InChI=1S/C12H16N6O3/c13-12-16-10(15-6-1-2-6)9-11(17-12)18(5-14-9)7-4-20-8(3-19)21-7/h5-8,19H,1-4H2,(H3,13,15,16,17)/t7-,8-/m1/s1
InChIKey: ATSMZGDYBPOXMZ-HTQZYQBOSA-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	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800013016)
2	Single dose pharmacokinetics of SPD-756 in healthy adult volunteers, P F Smith, Poster Exhibition: The XIV International AIDS Conference: Abstract no. WePeB6050.