Details of the Drug

General Information of Drug (ID: DMLPRU4)

Drug Name
SDZ-208911
Synonyms
SDZ-HAC-911; N-[(8alpha)-2,6-Dimethylergolin-8-yl]-2,2-dimethylpropanamide; N-(5,7-Dimethyl-4,6,6abeta,7,8,9,10,10aalpha-octahydroindolo[4,3-fg]quinolin-9alpha-yl)-2,2-dimethylpropanamide; 2,6-Dimethyl-8alpha-(2,2-dimethyl-1-oxopropylamino)ergoline
Indication
Disease Entry ICD 11 Status REF
Psychotic disorder 6A20-6A25 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 339.5
Logarithm of the Partition Coefficient (xlogp) 3.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C21H29N3O
IUPAC Name
N-(5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl)-2,2-dimethylpropanamide
Canonical SMILES
CC1=C2CC3C(CC(CN3C)NC(=O)C(C)(C)C)C4=C2C(=CC=C4)N1
InChI
InChI=1S/C21H29N3O/c1-12-15-10-18-16(14-7-6-8-17(22-12)19(14)15)9-13(11-24(18)5)23-20(25)21(2,3)4/h6-8,13,16,18,22H,9-11H2,1-5H3,(H,23,25)
InChIKey
ZNMWUMGOSWLWOH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
14277536
TTD ID
D00DHM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Psychotic disorder
ICD Disease Classification 6A20-6A25
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Effects of the partial dopamine receptor agonists SDZ 208-911, SDZ 208-912 and terguride on central monoamine receptors. A behavioral, biochemical and electrophysiological study. Naunyn SchmiedebergsArch Pharmacol. 1991 Sep;344(3):263-74.