Details of the Drug

General Information of Drug (ID: DMOYADT)

Drug Name
AF150(S)
Synonyms
AF150(S); SCHEMBL1328277; AF-150S; VGGGBQVTSUMURJ-UHFFFAOYSA-N; AF 150(S); AF-150(S); L007073; 1-methylpiperidine-4-spiro-(2'-methylthiazoline); 2,8-dimethyl-1-thia-3,8-diaza-spiro[4.5]dec-2-ene; 1-Thia-3,8-diazaspiro(4.5)dec-2-ene, 2,8-dimethyl-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 184.3
Logarithm of the Partition Coefficient (xlogp) 0.7
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C9H16N2S
IUPAC Name
2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]dec-2-ene
Canonical SMILES
CC1=NCC2(S1)CCN(CC2)C
InChI
InChI=1S/C9H16N2S/c1-8-10-7-9(12-8)3-5-11(2)6-4-9/h3-7H2,1-2H3
InChIKey
VGGGBQVTSUMURJ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10176415
CAS Number
138300-72-8
TTD ID
D0ZZ9M

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Muscarinic acetylcholine receptor M1 (CHRM1) TTZ9SOR ACM1_HUMAN Agonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Muscarinic acetylcholine receptor M1 (CHRM1) DTT CHRM1 5.59E-01 0.19 0.41
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 M1 muscarinic agonists target major hallmarks of Alzheimer's disease--an update. Curr Alzheimer Res. 2007 Dec;4(5):577-80.