Details of the Drug

General Information of Drug (ID: DMJTOP8)

Drug Name
R-61837
Synonyms 3-Methoxy-6-[4-(3-methylphenyl)-1-piperazinyl]pyridazine
Indication
Disease Entry ICD 11 Status REF
Virus infection 1A24-1D9Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 284.36
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H20N4O
IUPAC Name
3-methoxy-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine
Canonical SMILES
CC1=CC(=CC=C1)N2CCN(CC2)C3=NN=C(C=C3)OC
InChI
InChI=1S/C16H20N4O/c1-13-4-3-5-14(12-13)19-8-10-20(11-9-19)15-6-7-16(21-2)18-17-15/h3-7,12H,8-11H2,1-2H3
InChIKey
DDOAUTHWSCUHQA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
127504
CAS Number
100241-46-1
DrugBank ID
DB08017
TTD ID
D0O7DZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Rhinovirus Protein 1 (HRV P1D) TT2Y1AN POLG_HRV1B 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 800001063)
2 In vitro activity of R 61837, a new antirhinovirus compound. Arch Virol. 1988;101(3-4):155-67.