Details of the Drug

General Information of Drug (ID: DMHV5OD)

Drug Name

MF268

Synonyms

MF 268; 154619-51-9; 5-O-[8-(cis-2,6-dimethylmorpholino)octylcarbamoyl]eseroline; (3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indol-5-yl {8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]octyl}carbamate; Carbamic acid, (8-(2,6-dimethyl-4-morpholinyl)octyl)-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl ester, (3aS-(3a-alpha,5(2R*,6S*),8a-alpha))-; AC1MINCK; SCHEMBL2405111; CHEBI:43927; LS-49610; [(3aR,8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-[8-[(2S,6R)-2,6-dimet

Indication

Disease Entry	ICD 11	Status	REF
Alzheimer disease	8A20	Terminated	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

270.41

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

9

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H30N2O2
IUPAC Name: N-[8-[(2S,6R)-2,6-dimethylmorpholin-4-yl]octyl]formamide
Canonical SMILES: C[C@@H]1CN(C[C@@H](O1)C)CCCCCCCCNC=O
InChI: InChI=1S/C15H30N2O2/c1-14-11-17(12-15(2)19-14)10-8-6-4-3-5-7-9-16-13-18/h13-15H,3-12H2,1-2H3,(H,16,18)/t14-,15+
InChIKey: UXVBAZRPAJEAHR-GASCZTMLSA-N

Cross-matching ID

PubChem CID: 5288799
DrugBank ID: DB04021
TTD ID: D06ZAM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Acetylcholinesterase (AChE)	TT1RS9F	ACES_HUMAN	Inhibitor	[2]

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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

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)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800007171)
2	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.