Details of the Drug

General Information of Drug (ID: DMDRBNJ)

Drug Name

ROCICLOVIR

Synonyms

Hoe-602; Rociclovir; 2-Amino-9-[1,3-bis(isopropoxy)-2-propyloxymethyl]purine; 6-Deoxy-9-(1-isopropoxymethyl-2-isopropoxyethoxymethyl)guanine

Indication

Disease Entry	ICD 11	Status	REF
Virus infection	1A24-1D9Z	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

323.39

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C15H25N5O3
IUPAC Name: 9-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]purin-2-amine
Canonical SMILES: CC(C)OCC(COC(C)C)OCN1C=NC2=CN=C(N=C21)N
InChI: InChI=1S/C15H25N5O3/c1-10(2)21-6-12(7-22-11(3)4)23-9-20-8-18-13-5-17-15(16)19-14(13)20/h5,8,10-12H,6-7,9H2,1-4H3,(H2,16,17,19)
InChIKey: FBHWXSOQXQBXER-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Herpes simplex virus DNA polymerase UL30 (HSV UL30)	TTIU7X1	DPOL_HHV11	Modulator	[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 800001059)
2	Herpes simplex virus type 1 DNA polymerase. Mechanism of inhibition by acyclovir triphosphate. J Biol Chem. 1989 May 5;264(13):7405-11.