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]
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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: CHEBI:4855
CAS Number: 25573-43-7
TTD ID: D02DUJ

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 Interaction Atlas (MIA)

MIA Detail

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
Acetylcholinesterase (AChE)	DTT	ACHE	6.39E-02	-1.07	-1.15

Molecular Expression Atlas (MEA)

MEA Detail

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.