Details of the Drug

General Information of Drug (ID: DMJ2P1Q)

Drug Name
CI-1002
Synonyms PD-142676
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 269.17
Logarithm of the Partition Coefficient (xlogp) 3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C13H14Cl2N2
IUPAC Name
1,3-dichloro-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazoline
Canonical SMILES
C1CCC2=NC3=C(CN2CC1)C(=CC(=C3)Cl)Cl
InChI
InChI=1S/C13H14Cl2N2/c14-9-6-11(15)10-8-17-5-3-1-2-4-13(17)16-12(10)7-9/h6-7H,1-5,8H2
InChIKey
WTPSHLVHJOJDIF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9838284
CAS Number
149028-28-4
TTD ID
D0M2GI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_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 Alzheimer disease
ICD Disease Classification 8A20
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 PD 142676 (CI 1002), a novel anticholinesterase and muscarinic antagonist. Mol Neurobiol. 1994 Aug-Dec;9(1-3):93-106.