Details of the Drug

General Information of Drug (ID: DMUI81C)

Drug Name
AR-709
Synonyms AR-103; AR-103 program, Arpida
Indication
Disease Entry ICD 11 Status REF
Bacterial infection 1A00-1C4Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 535
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C27H27ClN6O4
IUPAC Name
5-chloro-3-[[4-[(2,4-diaminopyrimidin-5-yl)methyl]-6,7-dimethoxy-1-benzofuran-2-yl]methyl]-N,N-dimethyl-1H-indole-2-carboxamide
Canonical SMILES
CN(C)C(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)CC3=CC4=C(O3)C(=C(C=C4CC5=CN=C(N=C5N)N)OC)OC
InChI
InChI=1S/C27H27ClN6O4/c1-34(2)26(35)22-19(18-9-15(28)5-6-20(18)32-22)11-16-10-17-13(7-14-12-31-27(30)33-25(14)29)8-21(36-3)24(37-4)23(17)38-16/h5-6,8-10,12,32H,7,11H2,1-4H3,(H4,29,30,31,33)
InChIKey
ASSNCSVJAZEMQG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11226413
CAS Number
663214-64-0
TTD ID
D03ICO
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
Bacterial Dihydrofolate reductase (Bact DHFR) TTV8DM2 DYR_ECOLI 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 800020451)
2 Activity of the Diaminopyrimidine AR-709 against Recently Collected Multidrug-Resistant Isolates of Invasive Streptococcus pneumoniae from North America