Details of the Drug

General Information of Drug (ID: DMSZJUM)

Drug Name
SDZ-ISQ-844
Synonyms
143526-87-8; Sdz isq 844; Sdz-isq-844; SDZ ISQ-844; SCHEMBL7298437; AC1L317P; CTK4C3695; 3-Isoquinolinemethanol,1-(3,5-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-, (3S)-; AKOS030566039; 6,7-Dimethoxy-1-(3,4-dimethoxyphenyl)-3-hydroxymethyl-3,4-dihydroisoquinoline; (S)-1-(3,5-Dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-3-isoquinolinemethanol; 3-Isoquinolinemethanol, 1-(3,5-dimethoxyphenyl)-3,4-dihydro-6,7-dimethoxy-, (S)-
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 357.4
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C20H23NO5
IUPAC Name
[(3S)-1-(3,5-dimethoxyphenyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-3-yl]methanol
Canonical SMILES
COC1=CC(=CC(=C1)C2=N[C@@H](CC3=CC(=C(C=C32)OC)OC)CO)OC
InChI
InChI=1S/C20H23NO5/c1-23-15-6-13(7-16(9-15)24-2)20-17-10-19(26-4)18(25-3)8-12(17)5-14(11-22)21-20/h6-10,14,22H,5,11H2,1-4H3/t14-/m0/s1
InChIKey
GHBUMWHHZFGRDI-AWEZNQCLSA-N
Cross-matching ID
PubChem CID
132565
CAS Number
143526-87-8
TTD ID
D0J5UC

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 3 (PDE3) TTZCG4L NOUNIPROTAC 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 800005292)
2 [Effects of SDZ ISQ 844, a cyclic nucleotide phosphodiesterase isozyme type III/IV inhibitor, on the release of histamine from human peripheral leukocytes].Arerugi.1997 May;46(5):426-32.