Details of the Drug

General Information of Drug (ID: DMRQPOD)

Drug Name
R-803
Synonyms R-111706; R-940803
Indication
Disease Entry ICD 11 Status REF
Hepatitis C virus infection 1E51.1 Discontinued in Phase 1/2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 266.29
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H14O3
IUPAC Name
2-(3-phenyl-1-benzofuran-7-yl)propanoic acid
Canonical SMILES
CC(C1=CC=CC2=C1OC=C2C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C17H14O3/c1-11(17(18)19)13-8-5-9-14-15(10-20-16(13)14)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
InChIKey
ODZUWQAFWMLWCF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
37801
CAS Number
67700-30-5
UNII
T9G78A1R21
DrugBank ID
DB06499
TTD ID
D0M2SR
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 RNA-directed RNA polymerase (HCV NS5B) TTMVBWH POLG_HCV1 Modulator [2]
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 800011431)
2 Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.