Details of the Drug

General Information of Drug (ID: DM2YIOE)

Drug Name
SDZ-MAR-327
Indication
Disease Entry ICD 11 Status REF
Psychotic disorder 6A20-6A25 Phase 2 [1]
Schizophrenia 6A20 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 367.5
Logarithm of the Partition Coefficient (xlogp) 4.3
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C23H33N3O
IUPAC Name
N-[(6aR,9S)-5,7-dimethyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-2-ethyl-2-methylbutanamide
Canonical SMILES
CCC(C)(CC)C(=O)N[C@H]1CC2[C@@H](CC3=C(NC4=CC=CC2=C34)C)N(C1)C
InChI
InChI=1S/C23H33N3O/c1-6-23(4,7-2)22(27)25-15-11-18-16-9-8-10-19-21(16)17(14(3)24-19)12-20(18)26(5)13-15/h8-10,15,18,20,24H,6-7,11-13H2,1-5H3,(H,25,27)/t15-,18?,20+/m0/s1
InChIKey
UXRWQKITDPCICD-BEHPGTHXSA-N
Cross-matching ID
PubChem CID
56603721
TTD ID
D08FKX
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Modulator [2]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Modulator [2]
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
5-HT 1A receptor (HTR1A) DTT HTR1A 5.70E-01 -0.13 -0.53
Dopamine D2 receptor (D2R) DTT DRD2 2.20E-03 -0.51 -1.35
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.
2 DOI: 10.1038/sj.mp.4002062