Details of the Drug

General Information of Drug (ID: DM4JFMZ)

Drug Name
T-82
Synonyms 2-[2-(1-Benzylpiperidin-4-yl)ethyl]-9-methoxy-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one hemifumarate
Indication
Disease Entry ICD 11 Status REF
Cognitive impairment 6D71 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 3 Molecular Weight (mw) 598.2
Logarithm of the Partition Coefficient (xlogp) 6.3
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C31H36ClN3O5S
IUPAC Name
2-[4-[3-(3-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate
Canonical SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)CCCN3C4=C(C=C(C=C4)Cl)SC5=CC=CC=C53
InChI
InChI=1S/C31H36ClN3O5S/c1-37-26-19-22(20-27(38-2)30(26)39-3)31(36)40-18-17-34-15-13-33(14-16-34)11-6-12-35-24-7-4-5-8-28(24)41-29-21-23(32)9-10-25(29)35/h4-5,7-10,19-21H,6,11-18H2,1-3H3
InChIKey
KZAJTVRKNKAXAG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
193285
CAS Number
38455-99-1
TTD ID
D0PC1V

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cognitive impairment
ICD Disease Classification 6D71
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Acetylcholinesterase (AChE) DTT ACHE 6.39E-02 -1.07 -1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Effects of T-82, a novel acetylcholinesterase inhibitor, on impaired learning and memory in passive avoidance task in rats. Eur J Pharmacol. 2003 Mar 28;465(1-2):97-103.