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)

MIA Detail

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.