Details of the Drug

General Information of Drug (ID: DMAUFLQ)

Drug Name
GENESERINE
Synonyms
Eseridine; Geneserine; Eserine oxide; Eserine aminoxide; Eseridinum [Latin]; Eseridina [Spanish]; Eseridine [INN]; UNII-LW9S78L4M8; 25573-43-7; EINECS 247-111-2; NSC 340071; CHEBI:4855; LW9S78L4M8; Eseridine (INN); Eseridinum; C15H21N3O3; Eseridina; [(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-methylcarbamate; (4aS,9aS)-2,3,4,4a,9,9a-Hexahydro-2,4a,9-trimethyl-1,2-oxazino(6,5-b)indol-6-ylmethylcarbamate; eseridin; geneserine oxazine; 1,2-Oxazino(6,5-b)indol-6-ol, 2,3,4,4a,9,9a-hexahydro-2,4a,9-trimeth
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) 291.35
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C15H21N3O3
IUPAC Name
[(4aS,9aS)-2,4a,9-trimethyl-4,9a-dihydro-3H-oxazino[6,5-b]indol-6-yl] N-methylcarbamate
Canonical SMILES
C[C@@]12CCN(O[C@@H]1N(C3=C2C=C(C=C3)OC(=O)NC)C)C
InChI
InChI=1S/C15H21N3O3/c1-15-7-8-17(3)21-13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15-/m0/s1
InChIKey
CNBHDDBNEKKMJH-ZFWWWQNUSA-N
Cross-matching ID
PubChem CID
65719
ChEBI ID
CHEMBL123248
CAS Number
25573-43-7
TTD ID
D02DUJ
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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]
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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
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 Structural determinants of Torpedo californica acetylcholinesterase inhibition by the novel and orally active carbamate based anti-alzheimer drug g... J Med Chem. 2006 Aug 24;49(17):5051-8.