Details of the Drug

General Information of Drug (ID: DM5N1OB)

Drug Name
ASP-2151
Synonyms Helicase-primase inhibitor (herpes infection), Astellas
Indication
Disease Entry ICD 11 Status REF
Herpes simplex virus infection 1F00 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 482.6
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C24H26N4O5S
IUPAC Name
N-(2,6-dimethylphenyl)-N-[2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl]-1,1-dioxothiane-4-carboxamide
Canonical SMILES
CC1=C(C(=CC=C1)C)N(CC(=O)NC2=CC=C(C=C2)C3=NOC=N3)C(=O)C4CCS(=O)(=O)CC4
InChI
InChI=1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29)
InChIKey
MNHNIVNAFBSLLX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11397521
CAS Number
841301-32-4
DrugBank ID
DB11701
TTD ID
D07PXQ
INTEDE ID
DR0083

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Herpes simplex virus Helicase-primase (HSV UL8) TTKCVJR HEPA_HHV11 Inhibitor [2]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [3]
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 800025919)
2 Efficacy of ASP2151, a helicase-primase inhibitor, against thymidine kinase-deficient herpes simplex virus type 2 infection in vitro and in vivo. Antiviral Res. 2012 Feb;93(2):301-4.
3 Amenamevir: studies of potential CYP3A-mediated pharmacokinetic interactions with midazolam, cyclosporine, and ritonavir in healthy volunteers. Clin Pharmacol Drug Dev. 2018 Nov;7(8):844-859.