Details of the Drug

General Information of Drug (ID: DM84WXZ)

Drug Name
AZD-7295
Synonyms A-689; HCV NS5a polymerase inhibitor, Arrow; HCV NS5a polymerase inhibitor, AstraZeneca
Indication
Disease Entry ICD 11 Status REF
Hepatitis C virus infection 1E51.1 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 644.7
Logarithm of the Partition Coefficient (xlogp) 5
Rotatable Bond Count (rotbonds) 11
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 10
Chemical Identifiers
Formula
C32H35F3N4O5S
IUPAC Name
4-[5-(cyclopropanecarbonylamino)-2-(trifluoromethoxy)phenyl]-N-[4-[(4-propylsulfonylpiperazin-1-yl)methyl]phenyl]benzamide
Canonical SMILES
CCCS(=O)(=O)N1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=C(C=CC(=C4)NC(=O)C5CC5)OC(F)(F)F
InChI
InChI=1S/C32H35F3N4O5S/c1-2-19-45(42,43)39-17-15-38(16-18-39)21-22-3-11-26(12-4-22)36-30(40)24-7-5-23(6-8-24)28-20-27(37-31(41)25-9-10-25)13-14-29(28)44-32(33,34)35/h3-8,11-14,20,25H,2,9-10,15-19,21H2,1H3,(H,36,40)(H,37,41)
InChIKey
MAQDQJWCSSCURR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
57339445
CAS Number
929890-64-2
UNII
102MC1467J
DrugBank ID
DB12724
TTD ID
D0N9TY
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hepatitis C virus Non-structural 5A (HCV NS5A) TTCJ2X8 POLG_HCV1 Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00906256) Clinical Pharmacology Study of AZD7295 in Healthy Subjects. U.S. National Institutes of Health.
2 TARGETING THE NS5A PROTEIN OF HCV: AN EMERGING OPTION. Drugs Future. 2011 September; 36(9): 691-711.